SCHEMBL9892687

SCHEMBL9892687

Bc1c(OC)ccc2c(S)cc(-c3csc(NC(C)C)n3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.40
RAB9A P51151 7/20 0.35
NPC1 O15118 5/20 0.35
MEN1 O00255 10/20 0.35
KMT2A Q03164 10/20 0.35
MAPK1 P28482 4/20 0.35
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
ALOX5 P09917 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 5/20 0.33
GAA P10253 3/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33

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
SCHEMBL14392811 0.87 TYR (0.47) TYRRAB9ANPC1MEN1KMT2A
SCHEMBL9892685 0.87 TYR (0.40) TYRRAB9ANPC1MEN1KMT2A
SCHEMBL15578482 0.78 TYR (0.43) TYRRAB9ANPC1MEN1KMT2A
SCHEMBL15578481 0.77 TYR (0.42) TYRRAB9ANPC1MEN1KMT2A
SCHEMBL15578479 0.77 TYR (0.42) TYRRAB9ANPC1MEN1KMT2A
SCHEMBL8146846 0.77 TYR (0.42) TYRRAB9ANPC1MEN1KMT2A
SCHEMBL12633885 0.75 TYR (0.40) TYRRAB9ANPC1MEN1KMT2A
SCHEMBL1167213 0.75 TYR (0.48) TYRRAB9ANPC1MEN1KMT2A
SCHEMBL10194576 0.74 TYR (0.47) TYRRAB9ANPC1MEN1KMT2A
SCHEMBL2633308 0.74 TYR (0.47) TYRRAB9ANPC1MEN1KMT2A

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-20120142929-A1 PROCESS FOR PREPARING SULFONYL QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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 (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-20120142929-A1 PROCESS FOR PREPARING SULFONYL QUINOLINES GYS2, CYP3A7, GBA1 TYR 1100/4885RAB9A 236/4885NPC1 178/4885

“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.