SCHEMBL753192

SCHEMBL753192

C#Cc1ccc(Cl)c(CNC(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL30251819 0.85 TSHR (0.41) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL752442 0.81 TSHR (0.47) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6557218 0.81 TSHR (0.47) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL754896 0.80 TSHR (0.55) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6558474 0.80 TSHR (0.46) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6557397 0.80 TSHR (0.46) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6557419 0.79 TSHR (0.45) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17447296 0.78 NPC1 (0.68) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4624413 0.77 TSHR (0.55) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1759206 0.77 TSHR (0.55) TSHRSMN1; SMN2ALDH1A1MAPTKMT2A

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 12 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
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-2532240-A2 Substituted benzene fungicides E. I. du Pont de Nemours and Company (US) 2012-12-12 EP disclosed
EP-2529624-A2 Substituted benzene fungicides E. I. du Pont de Nemours and Company (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
CN-101686688-A substituted benzene fungicides DU PONT 2010-03-31 CN 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 TSHR 1053/4885NPC1 3141/4885RAB9A 89/4885
US-20140323436-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 TSHR 1053/4885NPC1 3141/4885RAB9A 89/4885
US-20100120714-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 TSHR 1039/4885NPC1 2949/4885RAB9A 124/4885

“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.