SCHEMBL8127992

SCHEMBL8127992

Clc1ccc(CNCCc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.74
GAA P10253 1/20 0.74
MAPT P10636 1/20 0.74
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA4 P22748 2/20 0.61
CA9 Q16790 2/20 0.61
TDP1 Q9NUW8 1/20 0.59
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
SIGMAR1 Q99720 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
CHRM2 P08172 1/20 0.58
TMEM97 Q5BJF2 1/20 0.56
CYP1A2 P05177 1/20 0.55

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
SCHEMBL22495461 1.00 BCHE (0.74) BCHEGAAMAPTMEN1KMT2A
SCHEMBL17372407 0.93 BCHE (0.67) BCHEGAAMAPTMEN1KMT2A
SCHEMBL11881258 0.90 GAA (0.91) BCHEGAAMAPTMEN1KMT2A
SCHEMBL3272134 0.90 GAA (0.91) BCHEGAAMAPTMEN1KMT2A
SCHEMBL9523328 0.89 SIGMAR1 (0.70) BCHEGAAMAPTMEN1KMT2A
SCHEMBL27228 0.88 GAA (0.95) BCHEGAAMAPTMEN1KMT2A
Ammonia Solution, Strong SCHEMBL23581968 0.86 GAA (0.91) BCHEGAAMAPTMEN1KMT2A
SCHEMBL606264 0.86 ALDH1A1 (0.62) BCHEMEN1KMT2ACA1CA2
SCHEMBL25432637 0.86 GAA (0.91) BCHEGAAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1983401 0.86 GAA (1.00) BCHEGAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
EP-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 EP disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
JP-2000053618-A PRODUCTION OF OPTICALLY ACTIVE BENZYLAMINE COMPOUNDS SUMITOMO CHEM CO LTD 2000-02-22 JP 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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA BCHE 4593/4885GAA 3413/4885MAPT 3584/4885

“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.