SCHEMBL2885741

SCHEMBL2885741

COc1c(C=O)cccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.57
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
MAPT P10636 6/20 0.51
ALDH1A1 P00352 5/20 0.51
CYP3A4 P08684 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALOX15 P16050 1/20 0.51
PRKDC P78527 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
CYP19A1 P11511 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
PRMT1 Q99873 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7510757 0.91 ERN1 (0.74) ERN1CA1CA2MAPTALDH1A1
SCHEMBL5162106 0.86 ERN1 (0.44) ERN1CA1CA2MAPTALDH1A1
SCHEMBL16960614 0.85 MAPT (0.49) ERN1MAPTALDH1A1CYP3A4TDP1
SCHEMBL8552969 0.85 TDP1 (0.47) ERN1MAPTALDH1A1CYP3A4TDP1
SCHEMBL1534545 0.84 ALDH1A1 (0.53) ERN1CA1CA2MAPTALDH1A1
SCHEMBL358770 0.83 TDP1 (0.61) MAPTALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL28115828 0.83 ERN1 (0.50) ERN1CA1CA2MAPTALDH1A1
SCHEMBL5816489 0.83 ERN1 (0.57) ERN1CA1CA2MAPTALDH1A1
SCHEMBL2884138 0.82 PRMT1 (0.50) ERN1MAPTALDH1A1CYP3A4TDP1
SCHEMBL2884140 0.82 PRMT1 (0.50) ERN1MAPTALDH1A1CYP3A4TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192584-A Siloxane modified terpyridine corrosion-resistant auxiliary agent and application thereof in preparation of intrinsic metal corrosion-resistant epoxy resin coating 厦门大学深圳研究院 2024-12-27 CN claimed
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US claimed
US-7204857-B1 Dyeing method using a specific active methylene compound and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL S.A. (FR) 2007-04-17 US claimed
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 US claimed
US-6458168-B1 Hair dyeing method using an aliphatic cationic amine and compound chosen from an aldehyde, a ketone, a quinone, a di-imino-isoindoline, and a 3-aminoisoindolone derivative L'OREAL S.A. (FR) 2002-10-01 US claimed
CN-119591621-A Novel ecteinascidin derivatives, preparation method and application thereof, antibody drug conjugate and application thereof 泰诚思(上海)生物医药有限公司 2025-03-11 CN disclosed
CN-119192584-A Siloxane modified terpyridine corrosion-resistant auxiliary agent and application thereof in preparation of intrinsic metal corrosion-resistant epoxy resin coating 厦门大学深圳研究院 2024-12-27 CN disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
EP-2344478-B1 CC-1065 ANALOGS AND THEIR CONJUGATES SYNTARGA BV (NL) 2017-09-27 EP disclosed
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates BYONDIS B.V. (NL) 2011-08-25 US disclosed
CN-102015620-A Process for preparing combretastatin SANOFI AVENTIS 2011-04-13 CN disclosed
US-20100204273-A1 Quinoline and Quinazoline Derivatives Having Affinity for 5HT1-Type Receptors GLAXO GROUP LIMITED 2010-08-12 US disclosed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO disclosed
EP-1073407-A1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE ORQUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES L'OREAL (FR) 2001-02-07 EP disclosed
EP-1056434-A1 DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-12-06 EP disclosed
EP-1056435-A1 DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES L'OREAL (FR) 2000-12-06 EP disclosed
WO-2000038641-A1 DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES L'OREAL (FR) 2000-07-06 WO disclosed
WO-2000038640-A1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES L'OREAL (FR) 2000-07-06 WO disclosed
WO-2000038639-A1 DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-07-06 WO disclosed
US-5851771-A Chemiluminescent 1,2-dioxetanes TROPIX, INC. (US) 1998-12-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative KRT18, NDUFB5, NDUFB7 ERN1 2228/4885CA1 2816/4885CA2 3916/4885
US-20100204273-A1 Quinoline and Quinazoline Derivatives Having Affinity for 5HT1-Type Receptors OPRK1, OPRL1, OPRD1 ERN1 3321/4885CA1 4304/4885CA2 4739/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ERN1 845/4885CA1 4879/4885CA2 4600/4885
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates PCNA, CDC5L, TOP1 ERN1 2714/4885CA1 815/4885CA2 1148/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.