SCHEMBL15345004

SCHEMBL15345004

Cc1cccc(-n2cc(C)c(=O)[nH]c2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.46
XDH P47989 1/20 0.45
RAB9A P51151 2/20 0.45
HSP90AA1 P07900 1/20 0.45
MGLL Q99685 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.43
ADORA1 P30542 1/20 0.42
ALOX5 P09917 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL15333693 0.84 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL7834516 0.83 HPGD (0.54) MAPTSMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL15341773 0.82 SMN1; SMN2 (0.41) MAPTSMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL14685531 0.81 HTT (0.55) MAPTSMN1; SMN2ALDH1A1KDM4EXDH
SCHEMBL11243644 0.81 GAA (0.59) MAPTSMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL14685529 0.78 CRBN (0.65) MAPTSMN1; SMN2ALDH1A1KDM4EXDH
SCHEMBL3346087 0.76 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL7833172 0.76 CYP2E1 (0.46) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL15333304 0.76 ALDH1A1 (0.39) MAPTSMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL20577442 0.75 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1KDM4ETP53

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
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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 (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-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MAPT 1627/4885SMN1; SMN2 1111/4885ALDH1A1 355/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MAPT 1627/4885SMN1; SMN2 1111/4885ALDH1A1 355/4885

“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.