SCHEMBL18924446

SCHEMBL18924446

CN(C)C(=O)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 4/20 0.50
CYP1A2 P05177 4/20 0.50
CYP3A4 P08684 4/20 0.50
HSD17B10 Q99714 4/20 0.50
CYP2C19 P33261 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.50
ERN1 O75460 2/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ATR Q13535 1/20 0.49
ALOX15 P16050 2/20 0.49

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
SCHEMBL22553905 0.90 CYP11B2 (0.51) HDAC1HDAC6SMN1; SMN2HPGDALDH1A1
SCHEMBL30731158 0.90 CYP11B2 (0.51) HDAC1HDAC6SMN1; SMN2HPGDALDH1A1
SCHEMBL353139 0.87 KDM4E (0.60) SMN1; SMN2HPGDALDH1A1KDM4ECYP1A2
SCHEMBL10626283 0.87 ALDH1A1 (0.64) SMN1; SMN2HPGDALDH1A1KDM4ECYP1A2
Hydrochloric Acid SCHEMBL5796679 0.85 KDM4E (0.58) SMN1; SMN2HPGDALDH1A1KDM4ECYP1A2
SCHEMBL28391899 0.80 MKNK1 (0.46) SMN1; SMN2KDM4EHSD17B10KMT2AMAPT
SCHEMBL30731092 0.80 CHEK2 (0.72) ATRMAPK1
SCHEMBL22554299 0.80 CHEK2 (0.72) ATRMAPK1
SCHEMBL1004649 0.80 ALDH1A1 (0.73) SMN1; SMN2HPGDALDH1A1KDM4ECYP1A2
SCHEMBL19076162 0.79 KDM1A (0.59) HDAC1HDAC6SMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-20180022738-A1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-9670142-B2 1,3-diaminocyclopentane carboxamide derivatives MERCK PATENT GMBH (DE) 2017-06-06 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-20180022738-A1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES FASN, FADS1, ACOX3 HDAC1 1503/4885HDAC6 4002/4885SMN1; SMN2 1868/4885

“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.