SCHEMBL19782849

SCHEMBL19782849

COc1ccc(C)c2nc(Cl)sc12

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.77
HPGD P15428 3/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
CHRM4 P08173 4/20 0.39
MAPT P10636 2/20 0.39
DUSP3 P51452 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ILK Q13418 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL30189600 1.00 ALDH1A1 (0.77) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL10723297 0.84 ALDH1A1 (0.79) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL14970046 0.81 HSD17B10 (0.54) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL25964214 0.81 ALDH1A1 (0.51) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL20597620 0.81 ALDH1A1 (0.74) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL19783204 0.80 ALDH1A1 (0.49) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL30189716 0.80 ALDH1A1 (0.49) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL2035753 0.79 MEN1 (0.51) ALDH1A1HPGDTSHRSMN1; SMN2LMNA
SCHEMBL18416893 0.79 CYP3A4 (0.56) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL30189863 0.79 CYP3A4 (0.56) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 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 (2 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 ALDH1A1 1618/4885HPGD 866/4885TSHR 1832/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ALDH1A1 1598/4885HPGD 1104/4885TSHR 1191/4885

“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.