SCHEMBL6431028

SCHEMBL6431028

COCCOc1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
HPGD P15428 3/20 0.59
NPC1 O15118 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
RAB9A P51151 1/20 0.59
HTT P42858 2/20 0.57
TDP1 Q9NUW8 2/20 0.55
LMNA P02545 5/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP19A1 P11511 1/20 0.50
PTGS2 P35354 1/20 0.50
TSHR P16473 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL2002273 0.94 MAPT (0.55) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL8240311 0.92 MAPT (0.65) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL17525543 0.89 ALDH1A1 (0.59) MAPTSMN1; SMN2HPGDNPC1CYP1A2
Carbamic Acid SCHEMBL29158265 0.88 MAPT (0.51) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL7416033 0.88 CYP19A1 (0.59) MAPTSMN1; SMN2HPGDNPC1CYP1A2
Acetonitrile SCHEMBL28046866 0.87 MAPT (0.49) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL7399378 0.86 HTT (0.59) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL5099839 0.86 MAPT (0.65) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL12422424 0.86 MAPT (0.58) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL985801 0.86 MAPT (0.61) MAPTSMN1; SMN2HPGDNPC1CYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
EP-3442947-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme Inc (US) 2019-02-20 EP disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO disclosed
EP-0929526-B1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ASTRAZENECA AB (SE) 2005-07-27 EP disclosed
US-6809097-B1 ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY ZENECA LIMITED (GB) 2004-10-26 US disclosed
EP-0929526-A1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ZENECA LIMITED (GB) 1999-07-21 EP disclosed
WO-1998013350-A1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ZENECA LIMITED (GB) 1998-04-02 WO 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 (2 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-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 MAPT 3035/4885SMN1; SMN2 504/4885HPGD 1060/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 MAPT 3035/4885SMN1; SMN2 504/4885HPGD 1060/4885

“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.