SCHEMBL3710183

SCHEMBL3710183

O=C(O)NC1CC=C(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
MAPT P10636 3/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
PGR P06401 1/20 0.42
KMT2A Q03164 2/20 0.41
NAMPT P43490 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.39
SLC6A3 Q01959 1/20 0.39
AR P10275 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL3707832 0.82 DRD2 (0.49) EPHX1MAPTPOLBLMNAKMT2A
SCHEMBL19359218 0.81 NAMPT (0.46) MAPTLMNAGAAKMT2ANAMPT
SCHEMBL21382793 0.80 NAMPT (0.41) EPHX1GAANAMPT
SCHEMBL19359443 0.78 HTR1D (0.44) KMT2ANAMPTMEN1SMN1; SMN2
SCHEMBL19359558 0.78 HTR1D (0.44) KMT2ANAMPTMEN1SMN1; SMN2
SCHEMBL6121225 0.78 DRD2 (0.46) EPHX1MAPTLMNAKMT2ANAMPT
SCHEMBL31489016 0.74 CA1 (0.41) MAPTPOLBLMNAGAANAMPT
SCHEMBL28435662 0.73 AR (0.38) MAPTLMNAPGRNAMPTALDH1A1
SCHEMBL28559709 0.72 MAPT (0.57) MAPTPOLBLMNAGAAKMT2A
SCHEMBL28244071 0.71 POLB (0.50) MAPTPOLBLMNAPGRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710002-A2 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION C4 Therapeutics, Inc. (US) 2020-09-23 EP disclosed
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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 (3 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK EPHX1 2894/4885MAPT 386/4885POLB 2600/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 EPHX1 2430/4885MAPT 512/4885POLB 2278/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 EPHX1 2430/4885MAPT 512/4885POLB 2278/4885

“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.