SCHEMBL1979802

SCHEMBL1979802

CCCCN(C(=O)Nc1cc(C(=O)NC)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3OC)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.43
RAB9A P51151 1/20 0.43
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
UBE2M P61081 6/20 0.36
DCUN1D1 Q96GG9 6/20 0.36
MCHR1 Q99705 3/20 0.35
LMNA P02545 1/20 0.34
ABCB1 P08183 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
SCN7A Q01118 1/20 0.33
SCN5A Q14524 1/20 0.33
QPCT Q16769 1/20 0.33

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
Hydrochloric Acid SCHEMBL842301 0.99 GALR3 (0.43) GALR3RAB9AJAK1JAK3UBE2M
SCHEMBL1981620 0.94 GALR3 (0.44) GALR3RAB9AUBE2MDCUN1D1MCHR1
SCHEMBL1983613 0.94 GALR3 (0.39) GALR3RAB9AUBE2MDCUN1D1MCHR1
SCHEMBL1981911 0.93 MCHR1 (0.40) GALR3RAB9AUBE2MDCUN1D1MCHR1
Hydrochloric Acid SCHEMBL842751 0.93 GALR3 (0.43) GALR3RAB9AUBE2MDCUN1D1MCHR1
Hydrochloric Acid SCHEMBL842670 0.93 GALR3 (0.39) GALR3RAB9AUBE2MDCUN1D1MCHR1
Hydrochloric Acid SCHEMBL841526 0.92 MCHR1 (0.40) GALR3RAB9AUBE2MDCUN1D1MCHR1
SCHEMBL1981021 0.92 GALR3 (0.39) GALR3RAB9AUBE2MDCUN1D1MCHR1
Hydrochloric Acid SCHEMBL842932 0.92 GALR3 (0.39) GALR3RAB9AUBE2MDCUN1D1MCHR1
SCHEMBL1981939 0.92 GALR3 (0.40) GALR3RAB9AUBE2MDCUN1D1MCHR1

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
EP-2546234-A1 Nitrogeneous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-01-16 EP claimed
US-20110152520-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110152520-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 GALR3 650/4885RAB9A 953/4885JAK1 237/4885

“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.