SCHEMBL879568

SCHEMBL879568

NCc1ccc2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.50
▸ CYP2A6 P11509 3/20 0.50
▸ NR4A2 P43354 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ F7 P08709 1/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ F3 P13726 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ RAD51 Q06609 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CYP17A1 P05093 1/20 0.47
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ F2 P00734 1/20 0.47
▸ IMPDH2 P12268 1/20 0.46
▸ IMPDH1 P20839 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC8 Q9BY41 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
SCHEMBL29361377 1.00 AHR (0.50) AHRCYP2A6NR4A2GAAF7
Hydrochloric Acid SCHEMBL23704179 0.98 AHR (0.48) AHRCYP2A6NR4A2GAAF7
Oxalic Acid SCHEMBL16274781 0.89 HDAC1 (0.49) AHRCYP2A6NR4A2GAAF7
SCHEMBL27417958 0.85 NPC1 (0.62) AHRCYP2A6NR4A2F7LTA4H
SCHEMBL1252146 0.84 HDAC1 (0.50) AHRCYP2A6NR4A2GAAF7
SCHEMBL30937489 0.84 HDAC1 (0.50) AHRCYP2A6NR4A2GAAF7
SCHEMBL879350 0.83 BACE1 (0.51) AHRCYP2A6GAAPKMCA1
SCHEMBL8666600 0.83 HDAC1 (0.55) AHRCYP2A6NR4A2GAAF7
SCHEMBL8694824 0.81 HDAC1 (0.55) AHRCYP2A6NR4A2GAAF7
SCHEMBL28253380 0.81 NPC1 (0.62) CYP17A1CYP11B1CYP11B2NPC1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026043948-A1 PAN EPHB TYROSINE KINASE FORWARD SIGNALING INHIBITORS IN EPHB-ASSOCIATED DISEASES TEXAS TECH UNIVERSITY SYSTEM (US) 2026-02-26 — — WO claimed
EP-3305778-A1 INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2018-04-11 — — EP claimed
US-9670305-B2 Polyurethane dispersant and the method for its preparation Wang, Zhijun (CN) 2017-06-06 — — US claimed
EP-2999697-B1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LTD (GB) 2017-04-19 — — EP claimed
EP-2839873-B1 POLYURETHANE DISPERSANT AND PREPARATION METHOD THEREOF WANG ZHIJUN (CN) 2017-01-04 — — EP claimed
US-9533987-B2 Heterocyclic derivates KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-01-03 — — US claimed
US-9486892-B2 Polishing composition FUJIMI INCORPORATED (JP) 2016-11-08 — — US claimed
US-20160108036-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-04-21 — — US claimed
EP-2999697-A1 HETEROCYCLIC DERIVATES Kalvista Pharmaceuticals Limited (GB) 2016-03-30 — — EP claimed
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 — — US claimed
WO-2014188211-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-11-27 — — WO claimed
CN-102658057-B Novel polyurethane dispersant and preparation method thereof WANG ZHIJUN 2014-09-10 — — CN claimed
CN-102658057-A Novel polyurethane dispersant and preparation method thereof ZHIJUN WANG 2012-09-12 — — CN claimed
EP-1368327-B1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-10-20 — — EP claimed
EP-1368327-A1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 — — EP claimed
US-6656932-B2 Treating osteoarthritis, rheumatoid arthritis, cancer, inflammation, and heart failure WARNER-LAMBERT COMPANY 2003-12-02 — — US claimed
EP-1362054-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 — — EP claimed
US-20020156069-A1 Benzo thiadiazine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-24 — — US claimed
WO-2002064578-A1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 — — WO claimed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 — — WO 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 (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-20020156069-A1 Benzo thiadiazine matrix metalloproteinase inhibitors MMP15, MMP13, MMP3 AHR 33/4885CYP2A6 1024/4885NR4A2 1008/4885
US-20160108036-A1 HETEROCYCLIC DERIVATES BDKRB1, KLKB1, BDKRB2 AHR 1212/4885CYP2A6 1170/4885NR4A2 3487/4885

“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.

Send feedback