SCHEMBL19397802

SCHEMBL19397802

CN(C)/C=C(\C#N)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.48
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHX1 P07099 1/20 0.42
GPR119 Q8TDV5 6/20 0.42
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
STS P08842 3/20 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
SCHEMBL19397798 0.86 MEN1 (0.45) HPGDRECQLMAPTKMT2AMEN1
SCHEMBL23635334 0.76 HPGD (0.56) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL21177572 0.76 SMN1; SMN2 (0.42) HPGDMAPTKMT2AMEN1ALDH1A1
SCHEMBL9938408 0.74 HPGD (0.48) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL1087013 0.74 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL16827768 0.74 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL16827771 0.74 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL15918769 0.74 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL14823741 0.74 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL28867441 0.74 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 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-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES UGT2B7, CYP3A43, CYP3A7 HPGD 1323/4885RECQL 2768/4885PTPN2 2930/4885

“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.