SCHEMBL15710896

SCHEMBL15710896

COc1ccc(NN=C(Br)c2ccc(C#N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.49
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
LMNA P02545 5/20 0.46
HTT P42858 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 3/20 0.46
NPC1 O15118 2/20 0.46
MITF O75030 1/20 0.46
THRB P10828 1/20 0.45
GFER P55789 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GSK3B P49841 1/20 0.42
VNN1 O95497 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GALK1 P51570 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
SCHEMBL4121130 0.76 SMN1; SMN2 (0.50) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4121127 0.76 SMN1; SMN2 (0.50) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL25328491 0.73 CYP1B1 (0.52) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5450744 0.73 GAA (0.68) MAPTRAB9ASMN1; SMN2KMT2AMEN1
1,4-Dimethoxybenzene SCHEMBL28617696 0.73 MAOB (0.61) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL103904 0.73 MAOB (0.61) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL30757515 0.73 MAOB (0.61) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL7281985 0.72 NPC1 (0.76) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6801256 0.72 NPC1 (0.76) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL30446586 0.72 MAPT (0.64) MAPTRAB9ASMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604964-B2 Dihydropyrazole GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
EP-2925749-B1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
US-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-13 US disclosed
EP-2920165-B1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-09-28 EP disclosed
EP-2925749-A1 DIHYDROPYRAZOLE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2015-10-07 EP disclosed
EP-2920165-A1 DIHYDROPYRAZOLE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2015-09-23 EP disclosed
US-9133163-B2 Dihydropyrazole GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-15 US disclosed
WO-2014078611-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 WO disclosed
US-20140142139-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-22 US disclosed
WO-2014078610-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 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-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS GPR55, GPR65, GPR35 MAPT 3496/4885RAB9A 2380/4885SMN1; SMN2 4736/4885
US-20140142139-A1 DIHYDROPYRAZOLE GPR40 MODULATORS GPR55, GPR35, GPR65 MAPT 3588/4885RAB9A 2785/4885SMN1; SMN2 4750/4885

“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.