SCHEMBL15929451

SCHEMBL15929451

Cc1ccccc1-c1scnc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PLA2G7 Q13093 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
VHL P40337 1/20 0.36
GAA P10253 1/20 0.35
IDO1 P14902 1/20 0.35
METAP2 P50579 1/20 0.35
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL2092935 0.81 MPL (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL2093842 0.81 HSD11B1 (0.43) RAB9ASMN1; SMN2NPC1PLA2G7ALDH1A1
SCHEMBL13616946 0.81 ADORA2A (0.40) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL15928081 0.78 RAB9A (0.35) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL27854290 0.78 HTR2B (0.39) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL28299160 0.77 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1KDM4EVHLTDP1
Hydrochloric Acid SCHEMBL8981368 0.75 ALDH1A1 (0.32) ALDH1A1VHLBDKRB2
SCHEMBL679793 0.75 KDM4E (0.53) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL6223538 0.74 KDM4E (0.45) RAB9ANPC1PLA2G7ALDH1A1KDM4E
SCHEMBL24181706 0.72 P2RX7 (0.43) ALDH1A1KDM4EVHLCYP1A2CYP2D6

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-9789089-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2017-10-17 US disclosed
US-20160067224-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-10 US disclosed
US-9220710-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-20140221421-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 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-20160067224-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD RAB9A 290/4885SMN1; SMN2 532/4885NPC1 9/4885
US-20140221421-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD RAB9A 290/4885SMN1; SMN2 532/4885NPC1 9/4885

“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.