SCHEMBL2073331

SCHEMBL2073331

Cn1cnc(/C=C/C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
TBXAS1 P24557 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCAR2 Q8TDS4 2/20 0.35
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL7757786 1.00 HDAC1 (0.52) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL3803230 1.00 HDAC1 (0.52) HDAC1HDAC2ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL8457836 0.98 HDAC1 (0.51) HDAC1HDAC2ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL8457834 0.98 HDAC1 (0.51) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL6015376 0.98 HDAC1 (0.51) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL6015374 0.98 HDAC1 (0.51) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL14619953 0.85 HDAC1 (0.52) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL14587959 0.81 HDAC1 (0.49) HDAC1HDAC2
SCHEMBL2154529 0.81 HDAC1 (0.52) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL15328886 0.81 HDAC1 (0.49) HDAC1HDAC2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773782-B1 TERPENOIDIC DERIVATIVES (SARCODICTYINS) USEFUL AS ANTITUMOR AGENTS PHARMACIA & UPJOHN SPA (IT) 2001-03-14 EP claimed
US-5869514-A ADMINISTERING SARCODICTYINS PHARMACIA & UPJOHN S.P.A. (IT) 1999-02-09 US claimed
EP-0773782-A1 TERPENOIDIC DERIVATIVES (SARCODICTYINS) USEFUL AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1997-05-21 EP claimed
WO-1996036335-A1 TERPENOIDIC DERIVATIVES (SARCODICTYINS) USEFUL AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1996-11-21 WO claimed
CN-117683049-A Indole derivatives as RAS inhibitors for the treatment of cancer 锐新医药公司 2024-03-12 CN disclosed
EP-4214209-A1 INDOLE DERIVATIVES AS RAS INHIBITORS IN THE TREATMENT OF CANCER Revolution Medicines, Inc. (US) 2023-07-26 EP disclosed
US-20230226186-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-20 US disclosed
CN-116457358-A Indole derivatives as RAS inhibitors for the treatment of cancer 锐新医药公司 2023-07-18 CN disclosed
EP-4208261-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. (US) 2023-07-12 EP disclosed
US-11690915-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-07-04 US disclosed
CN-116209438-A Treatment of malignant diseases with SHP2 mutations using SOS1 inhibitors 锐新医药公司 2023-06-02 CN disclosed
EP-3670539-A1 MATERIAL AND METHODS FOR TREATING OR PREVENTING HER-3 ASSOCIATED DISEASES Daiichi Sankyo Europe GmbH (DE) 2020-06-24 EP disclosed
WO-2003024529-A1 SIMPLIFIED SARCODICTYN DERIVATIVES AS ANTI-TUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-03-27 WO disclosed
EP-0773782-B1 TERPENOIDIC DERIVATIVES (SARCODICTYINS) USEFUL AS ANTITUMOR AGENTS PHARMACIA & UPJOHN SPA (IT) 2001-03-14 EP disclosed
US-6172205-B1 DEHALOGENATION, ACID CATALYSIS, CYCLIZATION, RING CONTRACTION; ANTICARCINOGENIC AGENTS THE TRUSTEES OF COLUMBIA IN THE CITY OF NEW YORK 2001-01-09 US disclosed
EP-0993457-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed
US-5922750-A SARCODICTYINS FOR TREATMENT OF CANCER PHARMACIA & UPJOHN S.P.A. (IT) 1999-07-13 US disclosed
WO-1998057954-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-23 WO disclosed
EP-0773782-A1 TERPENOIDIC DERIVATIVES (SARCODICTYINS) USEFUL AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1997-05-21 EP disclosed
WO-1996036335-A1 TERPENOIDIC DERIVATIVES (SARCODICTYINS) USEFUL AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1996-11-21 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-11690915-B2 Ras inhibitors KRAS, NRAS, HRAS HDAC1 1804/4885HDAC2 3087/4885ALDH1A1 4437/4885
US-20230226186-A1 RAS INHIBITORS KRAS, NRAS, HRAS HDAC1 1804/4885HDAC2 3087/4885ALDH1A1 4437/4885

“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.