SCHEMBL4521043

SCHEMBL4521043

Clc1cc(-c2cscn2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
KDM4A O75164 2/20 0.44
KDM4B O94953 2/20 0.44
KDM5C P41229 2/20 0.44
KDM5B Q9UGL1 2/20 0.44
CYP19A1 P11511 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
SCN9A Q15858 1/20 0.39
AAK1 Q2M2I8 1/20 0.37
RECQL P46063 1/20 0.37
LOX P28300 1/20 0.37
LOXL3 P58215 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
CDC7 O00311 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL15943367 0.77 AHR (0.48)
SCHEMBL4539471 0.77 IDO1 (0.50) IDO1KDM4AKDM4BKDM5CKDM5B
SCHEMBL14970120 0.77 ALDH1A1 (0.45) KDM4AKDM4BKDM5CKDM5BCCNC
SCHEMBL4027001 0.76 IDO1 (0.55) IDO1CYP19A1CCNCCDK8RECQL
SCHEMBL2494286 0.76 IDO1 (0.53) IDO1CYP19A1CCNCCDK8AAK1
SCHEMBL4518536 0.76 CYP19A1 (0.50) IDO1CYP19A1METAP2METAP1SCN9A
SCHEMBL30042796 0.76 CYP19A1 (0.50) IDO1CYP19A1METAP2METAP1SCN9A
SCHEMBL30589692 0.74 PIK3CD (0.47) KDM4AKDM4BKDM5CKDM5BMETAP2
SCHEMBL1772805 0.74 METAP2 (0.38) KDM4AKDM4BKDM5CKDM5BMETAP2
SCHEMBL679357 0.74 METAP2 (0.46) CYP19A1METAP2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 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 (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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 IDO1 3851/4885KDM4A 2501/4885KDM4B 2709/4885
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 IDO1 3851/4885KDM4A 2501/4885KDM4B 2709/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 IDO1 3851/4885KDM4A 2501/4885KDM4B 2709/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 IDO1 2838/4885KDM4A 4352/4885KDM4B 4247/4885

“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.