SCHEMBL5607983

SCHEMBL5607983

Cc1ccccc1NC(=O)c1sc(NC(=O)O)nc1C

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.60
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
MAPT P10636 4/20 0.59
ALDH1A1 P00352 5/20 0.57
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
LCK P06239 4/20 0.57
KDM4E B2RXH2 2/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
HSP90AA1 P07900 1/20 0.57
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL3590371 0.91 LCK (0.70) CHRNA7RAB9ANPC1MAPTALDH1A1
SCHEMBL3597783 0.87 KMT2A (0.61) CHRNA7RAB9ANPC1MAPTALDH1A1
SCHEMBL3586204 0.86 RAB9A (0.80) CHRNA7RAB9ANPC1MAPTALDH1A1
SCHEMBL3580403 0.86 RAB9A (0.67) CHRNA7RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL5607542 0.84 LCK (0.71) CHRNA7LCK
SCHEMBL3580427 0.84 MEN1 (0.80) CHRNA7RAB9ANPC1MAPTALDH1A1
SCHEMBL3580424 0.84 MEN1 (0.80) CHRNA7RAB9ANPC1MAPTALDH1A1
SCHEMBL774205 0.84 MAPT (0.81) RAB9ANPC1MAPTALDH1A1HTT
SCHEMBL3585980 0.84 ALOX5 (0.59) CHRNA7RAB9ANPC1ALDH1A1HTT
SCHEMBL3589244 0.84 RAB9A (0.72) CHRNA7RAB9ANPC1MAPTALDH1A1

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-8716323-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 US disclosed
EP-1758564-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER Brystol-Myers Squibb Company (US) 2007-03-07 EP disclosed
US-20060079563-A1 Cyclic protein tyrosine kinase inhibitors DAS JAGABANDHU 2006-04-13 US disclosed
WO-2005094376-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 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 (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-20060079563-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK CHRNA7 4869/4885RAB9A 1877/4885NPC1 4479/4885

“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.