SCHEMBL754563

SCHEMBL754563

CCC(=O)NCc1cc(C(C)=O)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
HTT P42858 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.42
P2RX7 Q99572 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
NLRP1 Q9C000 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL1758728 0.86 MAPT (0.46) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL15641224 0.84 MAPT (0.45) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1758939 0.83 TSHR (0.54) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL29337714 0.81 HTT (0.47) CYP3A4HTTMEN1KMT2AMAPT
SCHEMBL13361795 0.80 PKM (0.52) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL2914417 0.78 TSHR (0.46) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL21179834 0.78 HTT (0.43) CYP3A4HTTMEN1KMT2ASMN1; SMN2
SCHEMBL1750408 0.77 TSHR (0.50) CYP3A4HTTMEN1KMT2ALMNA
SCHEMBL27951772 0.77 ADRB2 (0.43) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL22060057 0.76 EPHX2 (0.63) HTTMEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9743667-B2 Substituted benzene fungicides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-08-29 US disclosed
EP-2430921-B1 Substituted benzene fungicides DU PONT (US) 2017-07-05 EP disclosed
US-9198433-B2 Substituted benzene fungicides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-12-01 US disclosed
US-20150335023-A1 SUBSTITUTED BENZENE FUNGICIDES FMC CORPORATION 2015-11-26 US disclosed
US-20140323436-A1 SUBSTITUTED BENZENE FUNGICIDES FMC CORPORATION 2014-10-30 US disclosed
US-8822521-B2 Substituted benzene fungicides E I DU PONT DE NEMOURS AND COMPANY (DE) 2014-09-02 US disclosed
EP-2129225-B1 SUBSTITUTED BENZENE FUNGICIDES DU PONT (US) 2012-12-05 EP disclosed
EP-2430921-A2 Substituted benzene fungicides E.I. Du Pont De Nemours And Company (US) 2012-03-21 EP disclosed
US-20100120714-A1 SUBSTITUTED BENZENE FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-05-13 US disclosed
EP-2129225-A2 SUBSTITUTED BENZENE FUNGICIDES E. I. Du Pont de Nemours and Company (US) 2009-12-09 EP disclosed
WO-2008124092-A2 SUBSTITUTED BENZENE FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-16 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 (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-20150335023-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 CYP3A4 323/4885HTT 4274/4885MEN1 2998/4885
US-20140323436-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 CYP3A4 323/4885HTT 4274/4885MEN1 2998/4885
US-20100120714-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 CYP3A4 363/4885HTT 4296/4885MEN1 2995/4885

“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.