SCHEMBL755101

SCHEMBL755101

COC(=O)NCc1cc(C(=O)C=CN(C)C)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
ALDH1A1 P00352 7/20 0.52
LMNA P02545 2/20 0.51
HPGD P15428 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 4/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.45
RAB9A P51151 4/20 0.43
RECQL P46063 2/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL755100 1.00 MAPT (0.52) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL1758747 0.89 MAPT (0.53) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL1758748 0.89 MAPT (0.53) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL15660601 0.88 MAPT (0.51) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL15660603 0.88 MAPT (0.51) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL1758939 0.78 TSHR (0.54) MAPTALDH1A1LMNAHPGDHTT
SCHEMBL4623289 0.78 TSHR (0.54) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL8837891 0.76 MAPT (0.67) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL8837893 0.76 MAPT (0.67) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL27779900 0.76 THRA (0.48) TSHR

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 15 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-8921360-B2 Heterobicycle-substituted azolyl benzene fungicides E. I. DU PONT DE NEMOURS AND COMPANY 2014-12-30 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-2493880-B1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES DU PONT (US) 2013-09-18 EP disclosed
EP-2493880-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E. I. du Pont de Nemours and Company (US) 2012-09-05 EP disclosed
US-20120202815-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-08-09 US disclosed
EP-2430921-A2 Substituted benzene fungicides E.I. Du Pont De Nemours And Company (US) 2012-03-21 EP disclosed
WO-2011059619-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-19 WO 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 (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-20120202815-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES CBR3, CBR1, CYP2S1 MAPT 4549/4885ALDH1A1 3110/4885LMNA 4756/4885
US-20150335023-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 MAPT 4627/4885ALDH1A1 2928/4885LMNA 4202/4885
US-20140323436-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 MAPT 4627/4885ALDH1A1 2928/4885LMNA 4202/4885
US-20100120714-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 MAPT 4633/4885ALDH1A1 3064/4885LMNA 4145/4885

“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.