SCHEMBL4055701

SCHEMBL4055701

CCCC(=O)N(CC)c1ccccc1C

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.58
LMNA P02545 1/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TP53 P04637 2/20 0.53
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.51
POLB P06746 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
OPRM1 P35372 1/20 0.44
CREBBP Q92793 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4058268 0.90 POLB (0.59) CYP3A4LMNAMEN1KMT2ATP53
SCHEMBL4061022 0.89 TP53 (0.59) CYP3A4LMNAMEN1KMT2ATP53
SCHEMBL12679901 0.87 CYP3A4 (0.55) CYP3A4LMNAMEN1KMT2ATP53
SCHEMBL1114970 0.87 CYP3A4 (0.55) CYP3A4LMNAMEN1KMT2ATP53
SCHEMBL13090981 0.87 ALDH1A1 (0.47) CYP3A4LMNAMEN1KMT2ATP53
SCHEMBL7867200 0.86 CYP3A4 (0.61) CYP3A4LMNAMEN1KMT2ATP53
SCHEMBL4158674 0.85 TP53 (0.56) CYP3A4LMNAMEN1KMT2ATP53
SCHEMBL14229016 0.85 TP53 (0.68) CYP3A4LMNAMEN1KMT2ATP53
SCHEMBL1114992 0.84 CYP3A4 (0.52) CYP3A4LMNAMEN1KMT2ATP53
SCHEMBL12679867 0.84 CYP3A4 (0.52) CYP3A4LMNAMEN1KMT2ATP53

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-3046560-A1 STEM CELL MODULATION II University of Canberra (AU) 2016-07-27 EP disclosed
WO-2015039187-A1 STEM CELL MODULATION II UNIVERSITY OF CANBERRA (AU) 2015-03-26 WO disclosed
US-7550473-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-09 US disclosed
EP-0782861-B1 DRUG COMPOUNDING INGREDIENTS COMPRISING N-SUBSTITUTED-O-TOLUIDINE DERIVATIVE AND PERCUTANEOUSLY ABSORBABLE PREPARATION HISAMITSU PHARMACEUTICAL CO (JP) 2001-12-12 EP disclosed
US-5891920-A Medicinal adjuvants consisting of N-subsitituted-o-toluidine derivatives, and percutaneously absorbable preparations comprising the adjuvants HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1999-04-06 US disclosed
EP-0782861-A1 DRUG COMPOUNDING INGREDIENTS COMPRISING N-SUBSTITUTED-O-TOLUIDINE DERIVATIVE AND PERCUTANEOUSLY ABSORBABLE PREPARATION Hisamitsu Pharmaceutical Co., Inc. (JP) 1997-07-09 EP 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-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCQ, PRKCZ, PRKCH CYP3A4 2949/4885LMNA 2449/4885MEN1 4069/4885

“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.