SCHEMBL17480620

SCHEMBL17480620

FCc1ccc(CSc2nnc(-c3ccccc3)o2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.80
GSK3A P49840 5/20 0.71
GSK3B P49841 5/20 0.71
NPC1 O15118 5/20 0.68
RAB9A P51151 4/20 0.68
HTT P42858 4/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
MAPK1 P28482 3/20 0.68
ALDH1A1 P00352 2/20 0.68
POLB P06746 1/20 0.66
SMN1; SMN2 Q16637 5/20 0.62
HPGD P15428 2/20 0.62
CASP3 P42574 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
NCOA1 Q15788 1/20 0.60

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
SCHEMBL16157092 0.89 EGFR (0.88) EGFRGSK3AGSK3BNPC1RAB9A
SCHEMBL928258 0.89 EGFR (1.00) EGFRGSK3AGSK3BNPC1RAB9A
SCHEMBL16157100 0.88 EGFR (0.80) EGFRGSK3AGSK3BNPC1RAB9A
SCHEMBL16157074 0.86 EGFR (0.94) EGFRGSK3AGSK3BNPC1RAB9A
SCHEMBL16157117 0.85 EGFR (0.80) EGFRGSK3AGSK3BNPC1RAB9A
SCHEMBL16211143 0.85 EGFR (0.80) EGFRGSK3AGSK3BNPC1RAB9A
SCHEMBL16157090 0.85 POLB (0.89) EGFRGSK3AGSK3BNPC1RAB9A
SCHEMBL17480628 0.85 EGFR (0.70) EGFRGSK3AGSK3BNPC1RAB9A
SCHEMBL16157055 0.85 EGFR (0.74) EGFRGSK3AGSK3BNPC1RAB9A
SCHEMBL16157157 0.84 GSK3B (0.89) EGFRGSK3AGSK3BNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031870-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS NIH - DEITR 2016-02-04 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 (1 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-20160031870-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GOT2, G6PD, FNTB EGFR 4472/4885GSK3A 2959/4885GSK3B 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.