SCHEMBL1708100

SCHEMBL1708100

COC(=O)c1cccc(-n2c(C)nc3ccc(OC)cc32)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.48
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
THRB P10828 1/20 0.44
PLA2G2A P14555 4/20 0.44
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.41
MYC P01106 1/20 0.41
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL1708108 0.88 POLB (0.53) RAB9APOLBALDH1A1TSHRTP53
SCHEMBL1708045 0.86 ALDH1A1 (0.51) RAB9APOLBALDH1A1TSHRPIK3CD
SCHEMBL1708022 0.84 ALDH1A1 (0.48) RAB9APOLBALDH1A1TSHRTP53
SCHEMBL1708403 0.78 ALDH1A1 (0.44) RAB9APOLBALDH1A1HSP90AA1HSP90AB1
SCHEMBL1708107 0.77 TSHR (0.46) RAB9APOLBALDH1A1TSHRTHRB
SCHEMBL1708054 0.75 ALDH1A1 (0.48) RAB9APOLBALDH1A1TSHRHSD17B10
SCHEMBL1708052 0.75 ALDH1A1 (0.48) RAB9APOLBALDH1A1TSHRHSD17B10
SCHEMBL1708016 0.73 TSHR (0.57) POLBALDH1A1TSHRHSD17B10TP53
SCHEMBL1708635 0.72 ALDH1A1 (0.46) RAB9APOLBALDH1A1TSHRPLA2G2A
SCHEMBL1707968 0.72 TSHR (0.47) RAB9APOLBALDH1A1TSHRTP53

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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R RAB9A 2224/4885POLB 4829/4885ALDH1A1 3930/4885

“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.