SCHEMBL7923976

SCHEMBL7923976

Cc1cc(=O)[nH]c2cc(NC(=O)CS)ccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ GLA P06280 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ TERT O14746 4/20 0.50
▸ LMNA P02545 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TNKS2 Q9H2K2 3/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL10056890 0.89 KDM4E (0.64) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL23130687 0.87 ALDH1A1 (0.65) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL11513168 0.87 KDM4E (0.51) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL14399200 0.84 HPGD (0.63) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL19962917 0.81 CA1 (0.46) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL14369937 0.80 KDM4E (0.53) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL10001928 0.79 ALDH1A1 (0.53) KDM4EALDH1A1TERTKMT2AMEN1
SCHEMBL14367687 0.79 TERT (0.48) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL15159310 0.77 AR (0.65) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL13273544 0.76 CA1 (0.46) HPGDTERTLMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 — — US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 — — US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 — — WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 — — 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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 KDM4E 1274/4885ALDH1A1 496/4885HPGD 194/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 KDM4E 1963/4885ALDH1A1 2213/4885HPGD 599/4885

“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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