SCHEMBL759481

SCHEMBL759481

CC(C)(Br)C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
SRD5A2 P31213 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL10877218 0.86 TSHR (0.57) TSHRSRD5A2MEN1KMT2AKDM4E
SCHEMBL10336500 0.85 TSHR (0.61) TSHRSRD5A2MEN1KMT2AKDM4E
SCHEMBL3132241 0.84 TSHR (0.55) TSHRSRD5A2MEN1KMT2AKDM4E
SCHEMBL15794964 0.82 TSHR (0.53) TSHRSRD5A2MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL758627 0.82 TSHR (0.53) TSHRSRD5A2MEN1KMT2AKDM4E
SCHEMBL11526539 0.79 CA1 (0.55) KDM4ENPC1MAPTRAB9AHTT
SCHEMBL1466166 0.78 TSHR (0.57) TSHRSRD5A2MEN1KMT2AKDM4E
SCHEMBL3443593 0.77 CES2 (0.52) TSHRSRD5A2MEN1KMT2AKDM4E
SCHEMBL18950066 0.76 TSHR (0.55) TSHRSRD5A2MEN1KMT2AKDM4E
SCHEMBL27686216 0.74 TSHR (0.64) TSHRSRD5A2MEN1KMT2AKDM4E

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
EP-1959742-B1 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA (JP) 2016-11-02 EP disclosed
US-8420572-B2 Fungicidal composition containing carboxylic acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-04-16 US disclosed
EP-1776011-B1 FUNGICIDAL COMPOSITION CONTAINING AN ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA (JP) 2012-03-21 EP disclosed
US-8039420-B2 Fungicidal composition containing acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-10-18 US disclosed
US-7829501-B2 Fungicidal composition containing acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-11-09 US disclosed
US-20100261735-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-10-14 US disclosed
US-20100261675-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-10-14 US disclosed
US-20100222337-A1 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-09-02 US disclosed
US-20080318779-A1 N-[(4'-methoxy-2'-methyl-1,1-dimethyl)phenacyl]-3-methyl-2-thiophenecarboxamide and another fungicide or an antibiotic; controlling noxious fungi at a low dose; Oomycetes, Ascomycetes, Basidiomycetes, Deuteromycetes particularly effective against Ascomycetes or Deuteromycetes; plant diseases ISHIHARA SANGYO KAISHA LTD (JP) 2008-12-25 US disclosed
EP-1776011-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-04-25 EP disclosed
WO-2006016708-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-02-16 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-20100222337-A1 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE CNPY2, CBR3, ACOX3 TSHR 1896/4885SRD5A2 409/4885MEN1 3944/4885
US-20080318779-A1 N-[(4'-methoxy-2'-methyl-1,1-dimethyl)phenacyl]-3-methyl-2-thiophenecarboxamide and another fungicide or an antibiotic; controlling noxious fungi at a low dose; Oomycetes, Ascomycetes, Basidiomycetes, Deuteromycetes particularly effective against Ascomycetes or Deuteromycetes; plant diseases AADAC, NAT1, TH TSHR 2313/4885SRD5A2 531/4885MEN1 2049/4885
US-20100261675-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 TSHR 2135/4885SRD5A2 887/4885MEN1 3533/4885
US-20100261735-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 TSHR 2135/4885SRD5A2 887/4885MEN1 3533/4885

“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.