SCHEMBL4040550

SCHEMBL4040550

CCOC(=O)c1cc2cccc(F)c2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 2/20 0.58
LMNA P02545 2/20 0.58
MEN1 O00255 1/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
CDK1 P06493 1/20 0.57
CCNB1 P14635 1/20 0.57
HSD17B10 Q99714 1/20 0.52
HRH4 Q9H3N8 6/20 0.52
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL29865409 1.00 KDM4E (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31501839 0.85 KDM4E (0.61) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4040141 0.85 KDM4E (0.61) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4045458 0.84 RAB9A (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10506586 0.84 ALDH1A1 (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4040570 0.83 ALOX15 (0.57) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5359001 0.83 ALOX15 (0.57) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31501858 0.83 RAB9A (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6307061 0.83 CDK1 (0.75) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1301646 0.83 RAB9A (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004902-A Heteroaryl heterocycles and uses thereof 和记黄埔医药(上海)有限公司 2025-05-16 CN disclosed
CN-119925375-A Heteroaryl heterocycles and uses thereof 和记黄埔医药(上海)有限公司 2025-05-06 CN disclosed
CN-119930630-A Heteroaryl heterocycles and uses thereof 和记黄埔医药(上海)有限公司 2025-05-06 CN disclosed
CN-115151535-B Heteroaryl heterocycles and uses thereof 和记黄埔医药(上海)有限公司 2025-01-10 CN disclosed
WO-2024259241-A1 5-HT2A RECEPTOR MODULATORS AND METHODS OF USE THEREOF Transneural Therapeutics, Inc. (US) 2024-12-19 WO disclosed
US-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. 2024-07-18 US disclosed
US-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. 2024-07-18 US disclosed
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 WO disclosed
US-6441004-B1 INDOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 2002-08-27 US disclosed
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles VERNALIS RESEARCH LIMITED, A BRITISH COMPANY (GB) 2002-03-21 US disclosed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 WO disclosed
EP-1003504-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
WO-1999007351-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ZENECA LIMITED (GB) 1999-02-18 WO disclosed
EP-0353983-B1 Lactam derivatives GLAXO GROUP LTD (GB) 1996-05-29 EP disclosed
EP-0353983-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1990-02-07 EP disclosed
US-4137313-A ANTICOAGULANTS, ANTIPHLOGISTIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1979-01-30 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 (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-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 KDM4E 2045/4885ALDH1A1 1203/4885HPGD 1383/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A KDM4E 657/4885ALDH1A1 225/4885HPGD 2929/4885
US-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 KDM4E 4432/4885ALDH1A1 1004/4885HPGD 226/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV KDM4E 3122/4885ALDH1A1 1863/4885HPGD 1219/4885

“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.