SCHEMBL118587

SCHEMBL118587

O=C(O)Cc1ccc2[nH]nnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 6/20 0.46
TSHR P16473 3/20 0.44
NFKB1 P19838 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
RGS12 O14924 1/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
GNAI1 P63096 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL10102945 0.87 KDM4E (0.49) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL31229543 0.87 KDM4E (0.49) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL15161494 0.85 MEN1 (0.37) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL6099721 0.81 ALDH1A1 (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL13147479 0.80 IAPP (0.37) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL1249952 0.80 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL117253 0.79 SMN1; SMN2 (0.48) ALDH1A1MAPTHSD17B10NFKB1LMNA
SCHEMBL1692572 0.79 HSD17B10 (0.39) HSD17B10CA2
SCHEMBL31262817 0.79 HSD17B10 (0.39) HSD17B10CA2
Phenylacetic Acid SCHEMBL27559287 0.79 AKR1B1 (0.55) ALDH1A1MAPTHPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702567-B2 Moisture curable organopolysiloxane composition and electric/electronic apparatus DOW SILICONES CORPORATION (US) 2023-07-18 US disclosed
EP-3103842-B1 CURABLE SILICONE COMPOSITION, CURED OBJECT THEREOF, AND OPTICAL SEMICONDUCTOR DEVICE DOW TORAY CO LTD (JP) 2023-01-11 EP disclosed
EP-3802717-B1 MOISTURE CURABLE ORGANOPOLYSILOXANE COMPOSITION AND ELECTRIC/ELECTRONIC APPARATUS DOW SILICONES CORP (US) 2022-12-21 EP disclosed
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2022-11-17 US disclosed
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS NIPPON CHEMIPHAR CO., LTD. (JP) 2022-07-21 US disclosed
EP-3039079-B1 CURABLE SILICONE COMPOSITION, CURED PRODUCT THEREOF, AND OPTICAL SEMICONDUCTOR DEVICE DDP SPECIALTY ELECTRONIC MAT US 9 LLC (US) 2022-05-18 EP disclosed
EP-3950059-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS Nippon Chemiphar Co., Ltd. (JP) 2022-02-09 EP disclosed
CN-112088195-B Moisture-curable organopolysiloxane composition and electrical/electronic device 美国陶氏有机硅公司 2021-09-28 CN disclosed
US-20210238444-A1 MOISTURE CURABLE ORGANOPOLYSILOXANE COMPOSITION AND ELECTRIC/ELECTRONIC APPARATUS DOW SILICONES CORPORATION 2021-08-05 US disclosed
EP-3825303-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nippon Chemiphar Co., Ltd. (JP) 2021-05-26 EP disclosed
US-8822476-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
WO-2014126265-A1 CURABLE SILICONE COMPOSITION, CURED PRODUCT THEREOF, AND OPTICAL SEMICONDUCTOR DEVICE DOW CORNING TORAY CO., LTD. (JP) 2014-08-21 WO disclosed
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 US disclosed
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 US disclosed
US-7112553-B1 Pesticidal indazole or benzotriazole derivatives SYNGENTA LIMITED (GB) 2006-09-26 US disclosed
EP-1171437-B1 PESTICIDAL INDAZOLE OR BENZOTRIAZOLE DERIVATIVES SYNGENTA LTD (GB) 2003-10-08 EP disclosed
EP-1171437-A1 PESTICIDAL INDAZOLE OR BENZOTRIAZOLE DERIVATIVES Syngenta Limited (GB) 2002-01-16 EP disclosed
WO-2000063207-A1 PESTICIDAL INDAZOLE OR BENZOTRIAZOLE DERIVATIVES SYNGENTA LIMITED (GB) 2000-10-26 WO disclosed
EP-0174135-A2 Heat-developable color light-sensitive material KONICA CORPORATION (JP) 1986-03-12 EP disclosed
US-4522785-A Dialkylaminomethyl aromatic triazoles as corrosion inhibitors THE SHERWIN-WILLIAMS COMPANY (US) 1985-06-11 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 (3 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-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E KDM4E 1526/4885ALDH1A1 2635/4885MAPT 3630/4885
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1H KDM4E 3937/4885ALDH1A1 3434/4885MAPT 304/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 KDM4E 3799/4885ALDH1A1 3671/4885MAPT 143/4885

“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.