SCHEMBL6575870

SCHEMBL6575870

N#CCc1ccc(NCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
FFAR1 O14842 3/20 0.51
FFAR4 Q5NUL3 1/20 0.51
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
CYP2D6 P10635 1/20 0.49
MEN1 O00255 2/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
BLM P54132 1/20 0.47
ATM Q13315 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPRZ1 P23471 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL1924100 0.82 HTT (0.78) HTTFFAR1FFAR4KMT2AALDH1A1
N-Benzylaniline SCHEMBL28662962 0.81 HTT (0.55) HTTFFAR1FFAR4KMT2AALDH1A1
N-Benzylaniline SCHEMBL27620362 0.80 HTT (0.68) HTTFFAR1FFAR4KMT2AALDH1A1
Benzene SCHEMBL28804146 0.79 ENPP2 (0.48) KMT2AALDH1A1CYP1A2MEN1TP53
SCHEMBL37831 0.79
SCHEMBL1921814 0.79
SCHEMBL1332411 0.79
Benzene SCHEMBL7517467 0.79 ENPP2 (0.48) KMT2AALDH1A1CYP1A2MEN1TP53
SCHEMBL31402005 0.79
Water SCHEMBL27932616 0.79 ENPP2 (0.48) KMT2AALDH1A1CYP1A2MEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107129442-A A kind of α Process for the cyanation of monoalkyl substituted aniline 重庆大学 2017-09-05 CN claimed
US-20040147612-A1 Sulfonamide derivatives DAVISON JOSHUA ZWICK (US) 2004-07-29 US disclosed
EP-1409452-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2002098846-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 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-20040147612-A1 Sulfonamide derivatives GRIN1, GRIN2A, GRIA1 HTT 1694/4885FFAR1 147/4885FFAR4 414/4885

“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.