SCHEMBL2765429

SCHEMBL2765429

CC(CO)NC(=O)c1cccc(C=CCCC(=O)N(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
MAP4K4 O95819 1/20 0.38
HPGD P15428 2/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PIN1 Q13526 1/20 0.35

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
SCHEMBL2623658 1.00 ATM (0.39) ATMMAP4K4HPGDHDAC3HDAC1
SCHEMBL2765427 1.00 ATM (0.39) ATMMAP4K4HPGDHDAC3HDAC1
Vsn-16R SCHEMBL17049466 0.94 ATM (0.38) ATMMAP4K4ALDH1A1
Vsn-16R SCHEMBL2763494 0.94 ATM (0.38) ATMMAP4K4ALDH1A1
Vsn-16R SCHEMBL2135092 0.94 ATM (0.38) ATMMAP4K4ALDH1A1
Vsn-16R SCHEMBL2623648 0.94 ATM (0.38) ATMMAP4K4ALDH1A1
Vsn-16R SCHEMBL1725526 0.94 ATM (0.38) ATMMAP4K4ALDH1A1
Vsn-16R SCHEMBL1725527 0.94 ATM (0.38) ATMMAP4K4ALDH1A1
Vsn-16R SCHEMBL15896536 0.94 ATM (0.38) ATMMAP4K4ALDH1A1
SCHEMBL2764772 0.93 ATM (0.37) ATMMAP4K4HDAC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160107984-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2016-04-21 US disclosed
US-9120723-B2 Modulator CANBEX THERAPEUTICS LIMITED (GB) 2015-09-01 US disclosed
US-20130123356-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2013-05-16 US disclosed
US-8293796-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2012-10-23 US disclosed
US-20100144876-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2010-06-10 US disclosed
EP-2177503-A1 MODULATORS OF CANNABINOID RECEPTORS UCL Business PLC (GB) 2010-04-21 EP disclosed
US-7696382-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2010-04-13 US disclosed
US-20080114062-A1 Modulator UNIVERSITY COLLEGE LONDON WOLFSON INSTITUTE FOR BIOMEDICAL RESEARCH (GB) 2008-05-15 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 (4 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-20080114062-A1 Modulator CHRNA3, CHRM3, NR3C2 ATM 4322/4885MAP4K4 3878/4885HPGD 2698/4885
US-20160107984-A1 MODULATOR CHRNA3, CHRNB3, CHRM3 ATM 4443/4885MAP4K4 2904/4885HPGD 1896/4885
US-20130123356-A1 MODULATOR MRGPRX2, NR3C2, MC2R ATM 4751/4885MAP4K4 1938/4885HPGD 750/4885
US-20100144876-A1 MODULATOR CHRNA3, CHRM3, NR3C2 ATM 4322/4885MAP4K4 3878/4885HPGD 2698/4885

“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.