SCHEMBL21395887

SCHEMBL21395887

COc1c(F)c(F)cc2sc(Br)nc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.33
ILK Q13418 1/20 0.33
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NQO2 P16083 1/20 0.32
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL21395718 0.85 MAPT (0.35) ALDH1A1MAPTMEN1KMT2A
SCHEMBL19782658 0.84 ALDH1A1 (0.30) ALDH1A1NQO2
SCHEMBL21395396 0.82 ALDH1A1 (0.65) ALDH1A1LMNAILKMAPTRAB9A
SCHEMBL3071959 0.78 ALDH1A1 (0.63) ALDH1A1LMNAPOLBILKMAPT
SCHEMBL23463047 0.77 ALDH1A1 (0.44) ALDH1A1LMNAPOLBILKMAPT
SCHEMBL19782618 0.75 F2RL3 (0.44) ALDH1A1LMNAMAPTRAB9AMEN1
SCHEMBL19782409 0.75 ALDH1A1 (0.39) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL19782756 0.72 MAPT (0.38) ALDH1A1ILKMAPTMEN1KMT2A
SCHEMBL21395888 0.71 PDE2A (0.39) ALDH1A1LMNAMAPTRAB9AMEN1
SCHEMBL19783064 0.71 ALDH1A1 (0.36) ALDH1A1MAPTRAB9AMEN1KMT2A

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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 ALDH1A1 1618/4885LMNA 745/4885POLB 2313/4885

“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.