SCHEMBL538540

SCHEMBL538540

c1ccc(C[C@H]2CN2)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HRH3 Q9Y5N1 1/20 0.49
GBA1 P04062 1/20 0.48

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
SCHEMBL899608 1.00 POLB (0.59) POLBMEN1KMT2AHRH3GBA1
SCHEMBL538541 1.00 POLB (0.59) POLBMEN1KMT2AHRH3GBA1
SCHEMBL15669880 0.98 POLB (0.57) POLBMEN1KMT2AHRH3GBA1
SCHEMBL1897843 0.98 POLB (0.57) POLBMEN1KMT2AHRH3GBA1
SCHEMBL23802807 0.98 POLB (0.57) POLBMEN1KMT2AHRH3GBA1
SCHEMBL23802919 0.98 POLB (0.57) POLBMEN1KMT2AHRH3GBA1
Bromide SCHEMBL15670016 0.95 POLB (0.55) POLBMEN1KMT2AHRH3
SCHEMBL10981485 0.86 MEN1 (0.47) POLBMEN1KMT2AHRH3
SCHEMBL28311651 0.85 POLB (0.50) POLBMEN1KMT2AGBA1
SCHEMBL16738 0.83 POLB (0.58) POLBMEN1KMT2AHRH3GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107382997-A For preparing the method and intermediate of drug agents 吉利德科学公司 2017-11-24 CN claimed
CN-104876888-A Methods And Intermediates For Preparing Pharmaceutical Agents GILEAD SCIENCES INC 2015-09-02 CN claimed
CN-102438982-B process for the preparation of cytochrome P450 monooxygenase inhibitors and intermediates involved GILEAD SCIENCES INC 2015-05-06 CN claimed
US-20150005493-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. 2015-01-01 US claimed
US-8497396-B2 Methods and intermediates for preparing pharmaceutical agents GILEAD SCIENCES, INC. (US) 2013-07-30 US claimed
EP-2414325-A2 METHOD OF PREPARING AN INHIBITOR OF CYTOCHROME P450 MONOOXYGENASE, AND INTERMEDIATES INVOLVED Gilead Sciences, Inc. (US) 2012-02-08 EP claimed
WO-2010115000-A2 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. (US) 2010-10-07 WO claimed
US-20100256366-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. 2010-10-07 US claimed
CN-119912462-A Biheterocycle-substituted porphyrin derivatives, process for their preparation and their use as photosensitizers 上海光声制药有限公司 2025-05-02 CN disclosed
EP-4069366-B1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2025-03-19 EP disclosed
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 US disclosed
CN-114835895-B Polysulfonamide-dithiocarbamic acid ester polymer and preparation and application thereof 广东工业大学 2023-04-25 CN disclosed
CN-115819768-B Reversibly bonded polysulfide and preparation method thereof 广东工业大学 2023-04-21 CN disclosed
CN-115819768-A Reversible adhesive polysulfide and preparation method thereof 广东工业大学 2023-03-21 CN disclosed
WO-2010115000-A2 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. (US) 2010-10-07 WO disclosed
US-20100256366-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. 2010-10-07 US disclosed
US-20100256366-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. 2010-10-07 US disclosed
CN-101255126-A Preparation of taurine and derivatives thereof UNIV BEIJING (CN) 2008-09-03 CN disclosed
US-20030153771-A1 Large scale synthesis of optically pure aziridines LEXICON PHARMACEUTICALS, INC. 2003-08-14 US disclosed
US-4743585-A PEPTIDES, HYPOTENSIVE AGENTS, HYPERALDOSTERONISM WARNER-LAMBERT COMPANY (US) 1988-05-10 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-20150005493-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS CYP2F1, UGT1A1, CYP3A7 POLB 790/4885MEN1 366/4885KMT2A 4442/4885
US-20100256366-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS CYP2F1, UGT1A1, CYP3A7 POLB 790/4885MEN1 366/4885KMT2A 4442/4885
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 POLB 260/4885MEN1 1920/4885KMT2A 1328/4885
US-20030153771-A1 Large scale synthesis of optically pure aziridines QDPR, AZI2, NISCH POLB 2684/4885MEN1 954/4885KMT2A 2177/4885

“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.