SCHEMBL88856

SCHEMBL88856

c1cnc2ccnnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 2/20 0.35
TGFBR1 P36897 1/20 0.35
HTT P42858 4/20 0.34
LMNA P02545 3/20 0.34
HSP90AA1 P07900 3/20 0.34
MEN1 O00255 2/20 0.34
CASP1 P29466 2/20 0.34
KMT2A Q03164 2/20 0.34
HSP90AB1 P08238 2/20 0.34
HIF1A Q16665 2/20 0.34
TP53 P04637 2/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL29599675 1.00 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL30099834 0.81 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL219949 0.81 PKM (0.33) GOT1
SCHEMBL8194 0.81 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EPOLBNPC1
Hydrochloric Acid SCHEMBL3439030 0.78 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBNPC1
Water SCHEMBL28824188 0.78 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBNPC1
Hydrochloric Acid SCHEMBL3710107 0.78 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL29095245 0.78 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBNPC1
Hydrochloric Acid SCHEMBL3704751 0.78 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL29592061 0.78 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBNPC1

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 1743 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3494396-B1 CHEMILUMINESCENT AND FLUORESCENT SUBSTRATE PADS AND USES THEREOF PIERCE BIOTECHNOLOGY INC (US) 2025-06-11 EP claimed
US-20250136581-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI SIMRD BIOTECHNOLOGY CO., LTD. (CN) 2025-05-01 US claimed
CN-115703765-B Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2025-02-28 CN claimed
US-20240246959-A1 BENZIMIDAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHENZHEN SALUBRIS PHARMACEUTICALS CO., LTD. (CN) 2024-07-25 US claimed
EP-4385988-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-06-19 EP claimed
CN-117279663-A Antibody drug conjugate comprising antibody against human CLDN18.2 and use thereof 乐高化学生物科学股份有限公司 2023-12-22 CN claimed
EP-4242202-A1 BENZIMIDAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Shenzhen Salubris Pharmaceuticals Co., Ltd. (CN) 2023-09-13 EP claimed
CN-116217558-A GLP-1 receptor agonist, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-06-06 CN claimed
US-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2023-05-11 US claimed
US-20230128972-A1 Anat Inhibitors and Methods of Use Thereof Atomwise Inc. 2023-04-27 US claimed
WO-2001055446-A1 NOVEL STABILIZED FORMULATIONS FOR CHEMILUMINESCENT ASSAYS GIRI BRIJ PAL (US) 2001-08-02 WO claimed
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP claimed
WO-2000065349-A2 METHOD FOR DETERMINING PLASMINOGEN ACTIVATOR INHIBITOR CARDIOGENICS INC. (CA) 2000-11-02 WO claimed
EP-1002535-A1 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2000-05-24 EP claimed
WO-2000024395-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER IKONOMIDOU HRISSANTHI (DE) 2000-05-04 WO claimed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO claimed
US-5952167-A A REDUCIBLE SILVER SOURCE, A PHOTOCATALYST, A REDUCING AGENT, A BINDER AND A DIHALOMETHYL-SUBSTITUTED HETEROCYCLIC RING CONTAINING TWO TO FOUR NITROGEN ATOMS; ANTIFOGGING AGENTS; STORAGE STABILITY; IMAGE TONE; PHOTOSENSITIVITY FUJI PHOTO FILM CO., LTD. (JP) 1999-09-14 US claimed
US-5420275-A Chemiluminescent assay, tumors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-30 US claimed
EP-0491477-A1 Pyridopyridazine compounds and their use Takeda Chemical Industries, Ltd. (JP) 1992-06-24 EP claimed
US-5059605-A Methyl 2-(pyridyloxypyrimidinyleneoxyphenylene)-3-methoxypropenoates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-22 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-20230128972-A1 Anat Inhibitors and Methods of Use Thereof AANAT, CHAT, NAT1 ALDH1A1 616/4885MAPT 209/4885KDM4E 2931/4885
US-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 ALDH1A1 4076/4885MAPT 2511/4885KDM4E 4371/4885
US-20240246959-A1 BENZIMIDAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF GLP1R, GIPR, GCGR ALDH1A1 1985/4885MAPT 468/4885KDM4E 3725/4885
US-20250136581-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GABRA5, SLC6A11, GABRA1 ALDH1A1 607/4885MAPT 2714/4885KDM4E 4083/4885

“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.