SCHEMBL4740779

SCHEMBL4740779

[c]1nccnc1-c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2B6 P20813 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 6/20 0.40
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HPGD P15428 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 3/20 0.39

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
SCHEMBL1989627 0.73 CYP19A1 (0.41) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL661463 0.71 CYP3A4 (0.46) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL5067188 0.69 PDPK1 (0.42) CYP2A6ALDH1A1RAB9AHSD17B10
SCHEMBL559143 0.67 MTOR (0.39) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL8090131 0.67 MAPT (0.43) CYP3A4CYP2C9KDM4EMAPTGAA
SCHEMBL20837416 0.67 CYP3A4 (0.45) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL1003749 0.66 CYP19A1 (0.58) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL584984 0.66 KDM4E (0.31) KDM4ETDP1TP53
SCHEMBL2237236 0.65 GLO1 (0.47) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL8087924 0.65 CDK5 (0.40) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843850-B Fluorene-based compound, organic light emitting device using the same, and method of manufacturing the same 株式会社LG化学 2022-12-16 CN disclosed
US-8242174-B2 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA LLC (US) 2012-08-14 US disclosed
US-20120157462-A1 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2012-06-21 US disclosed
WO-2008094592-A1 HYDROXAMIC ACID DERIVATIVES OF ANILINE USEFUL AS THERAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING PANTHERA BIOPHARNA, LLC (US) 2008-08-07 WO disclosed
US-6063956-A APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS WHERE CONTROL IS DESIRED ROHM AND HAAS COMPANY (US) 2000-05-16 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 (1 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-20120157462-A1 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning ANTXR2, AGXT, AADAC CYP3A4 792/4885CYP2C9 215/4885CYP2E1 493/4885

“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.