SCHEMBL16157100

SCHEMBL16157100

Fc1ccc(CSc2nnc(-c3ccccc3)o2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.80
SMN1; SMN2 Q16637 5/20 0.77
GSK3B P49841 4/20 0.77
GSK3A P49840 3/20 0.77
HTT P42858 3/20 0.77
ALDH1A1 P00352 2/20 0.77
NCOA1 Q15788 1/20 0.77
NCOA3 Q9Y6Q9 1/20 0.77
NPC1 O15118 8/20 0.68
RAB9A P51151 8/20 0.68
MAPK1 P28482 5/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
HPGD P15428 4/20 0.67
HSD17B10 Q99714 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
POLB P06746 1/20 0.66
CASP3 P42574 1/20 0.66
SENP8 Q96LD8 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
SENP6 Q9GZR1 1/20 0.66

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
SCHEMBL16157040 0.94 EGFR (0.80) EGFRSMN1; SMN2GSK3BGSK3AHTT
SCHEMBL16157092 0.89 EGFR (0.88) EGFRSMN1; SMN2GSK3BGSK3AHTT
SCHEMBL928258 0.89 EGFR (1.00) EGFRSMN1; SMN2GSK3BGSK3AHTT
SCHEMBL17480620 0.88 EGFR (0.80) EGFRSMN1; SMN2GSK3BGSK3AHTT
SCHEMBL16157177 0.87 GSK3B (1.00) SMN1; SMN2GSK3BGSK3AHTTALDH1A1
SCHEMBL16157074 0.86 EGFR (0.94) EGFRSMN1; SMN2GSK3BGSK3AHTT
SCHEMBL16157175 0.86 GSK3B (0.71) EGFRSMN1; SMN2GSK3BGSK3AHTT
SCHEMBL16157174 0.86 HTT (0.73) EGFRSMN1; SMN2GSK3BGSK3AHTT
SCHEMBL16157032 0.86 GSK3B (0.81) EGFRSMN1; SMN2GSK3BGSK3AHTT
SCHEMBL16157117 0.85 EGFR (0.80) EGFRSMN1; SMN2GSK3BGSK3AHTT

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 4472/4885SMN1; SMN2 4593/4885GSK3B 2519/4885
US-20200140425-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GOT2, G6PD, FNTB EGFR 4472/4885SMN1; SMN2 4593/4885GSK3B 2519/4885
US-20160031870-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GOT2, G6PD, FNTB EGFR 4472/4885SMN1; SMN2 4593/4885GSK3B 2519/4885

“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.