SCHEMBL12308325

SCHEMBL12308325

CC[C@@]1(O)C(=O)CCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 19/20 0.78
▸ MEN1 O00255 5/20 0.78
▸ KMT2A Q03164 5/20 0.78
▸ SMN1; SMN2 Q16637 5/20 0.78
▸ KDM4E B2RXH2 4/20 0.78
▸ MAPT P10636 3/20 0.78
▸ CASP1 P29466 3/20 0.78
▸ CASP7 P55210 3/20 0.78
▸ HBB P68871 3/20 0.78
▸ USP2 O75604 2/20 0.78
▸ LMNA P02545 2/20 0.78
▸ BRCA1 P38398 2/20 0.78
▸ KEAP1 Q14145 2/20 0.78
▸ NFE2L2 Q16236 2/20 0.78
▸ HIF1A Q16665 2/20 0.78
▸ CYP3A4 P08684 2/20 0.78
▸ SLC22A2 O15244 1/20 0.78
▸ TOP2A P11388 1/20 0.78
▸ TOP2B Q02880 1/20 0.78
▸ SLC47A2 Q86VL8 1/20 0.78

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
SCHEMBL26844537 0.92 TOP1 (0.67) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26843251 0.92 TOP1 (0.67) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26843302 0.92 TOP1 (0.66) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13696745 0.91 TOP1 (0.64) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26843261 0.90 TOP1 (0.64) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26844524 0.90 TOP1 (0.64) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26844617 0.90 TOP1 (0.64) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL15721371 0.90 TOP1 (0.64) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL16307457 0.89 TOP1 (0.67) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL3927536 0.88 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834458-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2023-12-05 — — US disclosed
US-20170027938-A1 Combination NOVARTIS AG (CH) 2017-02-02 — — US disclosed
US-20160143900-A1 CAMPTOTHECIN DERIVATIVES AS ANTI-HIV AGENTS AND METHODS OF IDENTIFYING AGENTS THAT DISRUPT VIF SELF-ASSOCIATION OYAGEN, INC. (US) 2016-05-26 — — US disclosed
US-20130303560-A1 Combination Sunnybrook Research Institute (CA) 2013-11-14 — — US disclosed
US-8017735-B2 Comprising one or more binding compositions comprising a member selected from a light chain amino acid sequence which comprises CDR-L1 and a heavy chain amino acid sequence which comprises CDR-H1 in association with one or more chemotherapeutic agents; cancer therapy SCHERING CORPORATION (US) 2011-09-13 — — US disclosed
US-20100143340-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER SCHERING CORPORATION 2010-06-10 — — US disclosed
US-20090192184-A1 Crystalline Polymorphs of Topotecan Hydrochloride and Methods for the Preparation Thereof ANTIBIOTICOS S.P.A. (IT) 2009-07-30 — — US disclosed
US-20080051580-A1 Process to Prepare Camptothecin Derivatives and Novel Intermediate and Compounds Thereof CHATHAM BIOTEC, LIMITED (CA) 2008-02-28 — — 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 (7 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-20090192184-A1 Crystalline Polymorphs of Topotecan Hydrochloride and Methods for the Preparation Thereof TOP2A, TOP2B, TOP1 TOP1 3/4885MEN1 1391/4885KMT2A 2602/4885
US-20130303560-A1 Combination QDPR, BRCA1, MTNR1B TOP1 187/4885MEN1 1298/4885KMT2A 400/4885
US-20080051580-A1 Process to Prepare Camptothecin Derivatives and Novel Intermediate and Compounds Thereof TOP2A, TOP1, TOP2B TOP1 2/4885MEN1 881/4885KMT2A 3249/4885
US-11834458-B2 Anti-cancer nuclear hormone receptor-targeting compounds NCOA1, NCOR1, NCOA3 TOP1 531/4885MEN1 2250/4885KMT2A 2014/4885
US-20100143340-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER TP53, KLK3, CD44 TOP1 649/4885MEN1 766/4885KMT2A 2490/4885
US-20170027938-A1 Combination QDPR, BRCA1, MTNR1B TOP1 187/4885MEN1 1298/4885KMT2A 400/4885
US-20160143900-A1 CAMPTOTHECIN DERIVATIVES AS ANTI-HIV AGENTS AND METHODS OF IDENTIFYING AGENTS THAT DISRUPT VIF SELF-ASSOCIATION REV1, APOBEC3A, TOP2A TOP1 11/4885MEN1 2811/4885KMT2A 2297/4885

“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.

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