SCHEMBL4539286

SCHEMBL4539286

CCc1scnc1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.45
HTT P42858 1/20 0.43
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 4/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CACNA2D1 P54289 1/20 0.35

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
SCHEMBL27554466 0.82 FFAR4 (0.43) FFAR4HTTMEN1KMT2ACYP1A2
SCHEMBL3290454 0.82 FFAR4 (0.43) FFAR4HTTCYP1A2CYP2C9CYP2C19
SCHEMBL3287314 0.82 FFAR4 (0.45) FFAR4HTTKMT2ACYP1A2CYP2C9
SCHEMBL23072120 0.81 ALDH1A1 (0.50) PTGDR2ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL14754371 0.81 AHR (0.41) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL1082931 0.77 PTGDR2 (0.57) FFAR4MEN1KMT2ACYP1A2CYP2C9
SCHEMBL10280239 0.76 FFAR4 (0.40) FFAR4HTTPTGDR2LMNANPC1
SCHEMBL3290113 0.75 FFAR4 (0.46) FFAR4HTTMEN1KMT2ACYP1A2
SCHEMBL15026761 0.73 ALDH1A1 (0.32) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL31609715 0.72 KDM4E (0.37) FFAR4HTTMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 FFAR4 4591/4885HTT 4377/4885MEN1 1785/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 FFAR4 1016/4885HTT 160/4885MEN1 3610/4885

“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.