SCHEMBL10129617

SCHEMBL10129617

Cc1c(CN2CCCCC2)cccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.57
KDM4E B2RXH2 11/20 0.57
POLB P06746 2/20 0.57
ATM Q13315 3/20 0.51
NPSR1 Q6W5P4 3/20 0.50
GAA P10253 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.48
TSHR P16473 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL6769005 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EPOLBATMNPSR1
Hydrochloric Acid SCHEMBL7405455 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EPOLBATMNPSR1
SCHEMBL31669175 0.82 ALDH1A1 (0.74) ALDH1A1KDM4EPOLBATMNPSR1
SCHEMBL11619127 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBATMNPSR1
SCHEMBL30341017 0.79 ALDH1A1 (0.69) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL13293671 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL10104480 0.78 KDM4E (0.43) ALDH1A1KDM4EPOLBATMNPSR1
SCHEMBL21400926 0.76 KMT2A (0.53) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL10104533 0.76 KDM4E (0.44) ALDH1A1KDM4EPOLBATMNPSR1
SCHEMBL6735190 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBKMT2AMEN1

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-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 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-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 ALDH1A1 1210/4885KDM4E 2205/4885POLB 4665/4885

“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.