SCHEMBL578262

SCHEMBL578262

CN1C(=O)Cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
HPGD P15428 1/20 0.55
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
BRPF1 P55201 1/20 0.48
KMT2A Q03164 2/20 0.46
CASP3 P42574 2/20 0.46
CASP6 P55212 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR7 P34969 5/20 0.45
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.43
HTR1A P08908 2/20 0.43
TRIM24 O15164 1/20 0.43
LMNA P02545 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42

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
SCHEMBL29385722 1.00 NOTUM (0.56) NOTUMHPGDCHRNB4CHRNA3BRPF1
SCHEMBL16767079 1.00 NOTUM (0.56) NOTUMHPGDCHRNB4CHRNA3BRPF1
Water SCHEMBL30404181 0.98 NOTUM (0.55) NOTUMHPGDCHRNB4CHRNA3BRPF1
Water SCHEMBL9309686 0.98 NOTUM (0.55) NOTUMHPGDCHRNB4CHRNA3BRPF1
Methoxymethane SCHEMBL9309030 0.94 NOTUM (0.51) NOTUMHPGDCHRNB4CHRNA3BRPF1
SCHEMBL19224526 0.90 CYP1A2 (0.52) NOTUMHPGDCHRNB4CHRNA3BRPF1
SCHEMBL5502340 0.85 CES1 (0.69) NOTUMHPGDKMT2ACASP3CASP6
Trifluoroacetic Acid SCHEMBL28135461 0.85 NOTUM (0.51) NOTUMHPGDCHRNB4CHRNA3BRPF1
SCHEMBL30544986 0.84 NOTUM (0.42) NOTUMHPGDCHRNB4CHRNA3BRPF1
SCHEMBL4994391 0.84 KMT2A (0.53) NOTUMHPGDBRPF1KMT2ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118754878-A Quinazoline derivative with broad-spectrum anti-tumor activity as well as preparation method and application thereof 成都安博力善生物科技有限公司 2024-10-11 CN claimed
US-11603373-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-03-14 US claimed
US-11542540-B2 Control nucleic acids, and compositions, kits, and uses thereof Life Technologies Corporation (US) 2023-01-03 US claimed
EP-3436017-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2020-09-23 EP claimed
EP-3645533-A1 TDO2 AND IDO1 INHIBITORS Genentech, Inc. (US) 2020-05-06 EP claimed
US-20200131563-A1 CONTROL NUCLEIC ACIDS, AND COMPOSITIONS, KITS, AND USES THEREOF Life Technologies Corporation 2020-04-30 US claimed
US-20200123163-A1 TDO2 and IDO1 Inhibitors GENENTECH, INC. 2020-04-23 US claimed
US-10544147-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2020-01-28 US claimed
WO-2019005559-A1 TDO2 AND IDO1 INHIBITORS GENENTECH, INC. (US) 2019-01-03 WO claimed
WO-2018231818-A1 CONTROL NUCLEIC ACIDS, AND COMPOSITIONS, KITS, AND USES THEREOF Life Technologies Corporation (US) 2018-12-20 WO 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
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US claimed
US-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-03-14 US claimed
CN-1288460-A Process for preparing 3-methyl-2-oxoindoline MEDICAL INFORMATION SERVICES I (JP) 2001-03-21 CN claimed
US-5387631-A A dinitro-, diaminoalkane rubber component; rebound resilience, skid resistance and fuel savings THE YOKOHAMA RUBBER CO., LTD. (JP) 1995-02-07 US claimed
EP-0480969-A4 AMINO ACID ANALOG CCK ANTAGONISTS 1993-01-07 EP claimed
EP-0480969-A1 AMINO ACID ANALOG CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1992-04-22 EP claimed
WO-1991000725-A2 AMINO ACID ANALOG CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1991-01-24 WO claimed
US-4822844-A MODIFIED WITH NITROGEN COMPOUND CONTAINING EITHER OXYGEN OR SULFUR AS BRANCHING OR END GROUP THE YOKOHAMA RUBBER CO., LTD. (JP) 1989-04-18 US claimed
US-4647625-A Process for modifying conjugated diene polymers NIPPON ZEON CO., LTD. (JP) 1987-03-03 US claimed

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-10544147-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA NOTUM 2689/4885HPGD 831/4885CHRNB4 1068/4885
US-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 NOTUM 1951/4885HPGD 192/4885CHRNB4 171/4885
US-11603373-B2 TDO2 and IDO1 inhibitors IDO1, TDO2, IDO2 NOTUM 4290/4885HPGD 432/4885CHRNB4 3956/4885
US-20200123163-A1 TDO2 and IDO1 Inhibitors IDO1, TDO2, IDO2 NOTUM 4290/4885HPGD 432/4885CHRNB4 3956/4885

“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.