SCHEMBL188108

SCHEMBL188108

CC(O)c1ccc2ncccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.56
ALDH1A1 P00352 5/20 0.55
NPC1 O15118 2/20 0.53
POLB P06746 2/20 0.53
RAB9A P51151 1/20 0.53
HTT P42858 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MET P08581 7/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
ALOX15 P16050 1/20 0.47

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
SCHEMBL30745165 1.00 UGT2B7 (0.56) UGT2B7ALDH1A1NPC1POLBRAB9A
SCHEMBL13363674 0.88 ALDH1A1 (0.53) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL17541507 0.86 UGT2B7 (0.56) UGT2B7ALDH1A1NPC1POLBRAB9A
SCHEMBL30644683 0.86 UGT2B7 (0.56) UGT2B7ALDH1A1NPC1POLBRAB9A
SCHEMBL21709860 0.85 NPC1 (0.57) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL31023643 0.85 NPC1 (0.57) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL112749 0.85 ALDH1A1 (0.58) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL6186591 0.82 ALDH1A1 (0.55) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL21912621 0.82 ALDH1A1 (0.55) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL1328999 0.82 ALDH1A1 (0.55) ALDH1A1NPC1POLBRAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1100414-A Preparation of pharmaceutical compound containing novel derivative of leukol SMITHKLINE BECKMAN INTERCREDIT (NL) 1995-03-22 CN claimed
CN-1027368-C Process for preparing substituted quinoline derivatives SMITHKLINE BECKMAN INTERCREDIT (NL) 1995-01-11 CN claimed
CN-1035501-A PROCESS FOR PREPARING SUBSTITUTED QUINOLINE DERIVATIVES SMITHKLINE BECKMAN INTERCREDIT (NL) 1989-09-13 CN claimed
EP-4709725-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Progentos Therapeutics, Inc. (US) 2026-03-18 EP disclosed
WO-2024233642-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PROGENTOS THERAPEUTICS, INC. (US) 2024-11-14 WO disclosed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
WO-2022094420-A1 SELECTIVE TRANSITION METAL CATALYZED DEUTERIUM INCORPORATION INTO ALKYNE AND ALKENE FUNCTIONALITIES MARQUETTE UNIVERSITY (US) 2022-05-05 WO disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
CN-103717589-B For treating or prevent the compound of respiratory syncytial virus disease 弗·哈夫曼-拉罗切有限公司 2016-08-17 CN disclosed
EP-2310389-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2011-04-20 EP disclosed
WO-2010051497-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS, INC. (US) 2010-05-06 WO disclosed
WO-2009143477-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2009-11-26 WO disclosed
US-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABOTT LABORATORIES 2005-09-22 US disclosed
US-20050187387-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-08-25 US disclosed
US-6921821-B2 Antagonists of melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
EP-1534703-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR ABBOTT LABORATORIES (US) 2005-06-01 EP disclosed
US-20040106645-A1 Antagonists of melanin concentrating hormone receptor MILLENNIUM PHARMACEUTICALS, INC. 2004-06-03 US disclosed
WO-2003106452-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-24 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-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R UGT2B7 2237/4885ALDH1A1 1308/4885NPC1 922/4885
US-20040106645-A1 Antagonists of melanin concentrating hormone receptor MCHR1, MCHR2, MC1R UGT2B7 425/4885ALDH1A1 660/4885NPC1 356/4885

“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.