SCHEMBL598184

SCHEMBL598184

Oc1ccc(-n2cccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.64
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 1/20 0.58
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
G6PD P11413 1/20 0.50
HDAC4 P56524 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45
TNIK Q9UKE5 4/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
ENPP2 Q13822 1/20 0.44
MKNK1 Q9BUB5 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
Hydrochloric Acid SCHEMBL30758854 0.98 NOTUM (0.62) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL14541930 0.89 NOTUM (0.53) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL11076731 0.89 DRD4 (0.58) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL4341894 0.89 NOTUM (0.78) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL173885 0.80 NOTUM (0.67) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL27250 0.79 NOTUM (0.65) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL8116096 0.78 NOTUM (0.64) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL482303 0.78 NOTUM (0.64) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL182132 0.78 NOTUM (1.00) NOTUMKDM4EALDH1A1MAPK1MAPT
Hydrochloric Acid SCHEMBL7809916 0.78 NOTUM (0.64) NOTUMKDM4EALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117062813-B Polycyclic compound and application thereof 四川汇宇制药股份有限公司 2026-05-19 CN disclosed
CN-112399873-B Triazole glycolate oxidase inhibitors 坎特罗治疗有限公司 2024-10-25 CN disclosed
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
WO-2024078392-A1 PHOSPHORAMIDATE COMPOUNDS AND USES THEREOF ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2024-04-18 WO disclosed
CN-113072542-B ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业股份有限公司 2024-04-05 CN disclosed
EP-4330233-A1 PHENYL -O-QUINOLINE, QUINAZOLINE, THIENOPYRIDINE, THIENOPYRIMIDINE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE COMPOUNDS HAVING ANTICANCER ACTIVITY Chengdu Anticancer Bioscience, Ltd. (CN) 2024-03-06 EP disclosed
CN-117321036-A phenyl-O-quinoline, quinazoline, thienopyridine, thienopyrimidine, pyrrolopyridine, pyrrolopyrimidine compounds having anticancer activity 成都安泰康赛生物科技有限公司 2023-12-29 CN disclosed
CN-117062813-A Polycyclic compound and application thereof 四川汇宇制药股份有限公司 2023-11-14 CN disclosed
WO-2001074763-A1 ARYL AND HETEROARYL SULFONATES BAYER AKTIENGESELLSCHAFT (DE) 2001-10-11 WO disclosed
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 US disclosed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 US disclosed
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 WO disclosed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 WO disclosed
US-4619929-A SEDATIVES, HYPOTENSIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1986-10-28 US disclosed
EP-0056866-B1 PHENYLPIPERAZINE DERIVATIVES OF HETERYLPHENOLS AND HETARYLANILINES, THEIR PREPARATION AND THEIR PHARMACEUTICAL COMPOSITIONS BASF Aktiengesellschaft (DE) 1985-06-19 EP disclosed
EP-0022078-B1 PYRAZOLO-QUINOLINES, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1984-07-25 EP disclosed
US-3979141-A Pressure-sensitive recording system comprising 3'-amino-6' or 7'-(pyrazol-1-yl)fluoran compounds as color precursors MOORE BUSINESS FORMS, INC. (US) 1976-09-07 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 (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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM NOTUM 2210/4885KDM4E 4588/4885ALDH1A1 153/4885
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A NOTUM 689/4885KDM4E 40/4885ALDH1A1 460/4885

“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.