SCHEMBL16157129

SCHEMBL16157129

c1ccc(CSc2ncc(-c3ccccc3)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.55
RAB9A P51151 6/20 0.49
NPC1 O15118 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NOTUM Q6P988 1/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
MAPK1 P28482 2/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL24092049 0.75 ALOX15 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1NOTUM
SCHEMBL11707415 0.75 TSHR (0.53) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL7016850 0.72 NOTUM (0.43) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL928258 0.71 EGFR (1.00) EGFRRAB9ANPC1SMN1; SMN2HTT
SCHEMBL26424617 0.70 TSHR (0.47) RAB9ANPC1SMN1; SMN2HTTL3MBTL1
SCHEMBL14680928 0.69 NOTUM (0.64) RAB9ANPC1L3MBTL1NOTUMTSHR
SCHEMBL13917901 0.69 HSD17B10 (0.66) EGFRRAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL16157074 0.69 EGFR (0.94) EGFRRAB9ANPC1SMN1; SMN2HTT
SCHEMBL927891 0.67 RAB9A (0.51) EGFRRAB9ANPC1SMN1; SMN2HTT
SCHEMBL1411430 0.67 HSD17B10 (0.53) EGFRRAB9ANPC1SMN1; SMN2HTT

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
US-20200140425-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS MASSACHUSETTS GENERAL HOSPITAL 2020-05-07 US disclosed
US-10301294-B2 Compounds for the treatment of tuberculosis The Broad Institute Inc. (US) 2019-05-28 US disclosed
US-20160031870-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS NIH - DEITR 2016-02-04 US disclosed
US-20160031870-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS NIH - DEITR 2016-02-04 US disclosed
WO-2014165090-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS THE BROAD INSTITUTE, INC. (US) 2014-10-09 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 (3 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-10301294-B2 Compounds for the treatment of tuberculosis GOT2, G6PD, FNTB EGFR 4472/4885RAB9A 3054/4885NPC1 507/4885
US-20200140425-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GOT2, G6PD, FNTB EGFR 4472/4885RAB9A 3054/4885NPC1 507/4885
US-20160031870-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GOT2, G6PD, FNTB EGFR 4472/4885RAB9A 3054/4885NPC1 507/4885

“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.