SCHEMBL1983014

SCHEMBL1983014

CCCCCCN(C(=O)Nc1cc(C(N)=O)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(S(C)(=O)=O)cc3OC)nc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.40
RAB9A P51151 1/20 0.40
KCNH2 Q12809 3/20 0.35
GPR119 Q8TDV5 2/20 0.35
LMNA P02545 1/20 0.35
QPCT Q16769 1/20 0.35
UBE2M P61081 4/20 0.34
DCUN1D1 Q96GG9 4/20 0.34
ABCB1 P08183 1/20 0.34
MCHR1 Q99705 2/20 0.34
MOGAT2 Q3SYC2 1/20 0.33
GPR6 P46095 1/20 0.33
SSTR5 P35346 1/20 0.33
HRH1 P35367 1/20 0.33
CTSD P07339 1/20 0.33
EP300 Q09472 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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 SCHEMBL842801 0.99 GALR3 (0.39) GALR3RAB9AKCNH2GPR119LMNA
SCHEMBL1979921 0.93 GALR3 (0.36) GALR3RAB9AKCNH2GPR119LMNA
Hydrochloric Acid SCHEMBL842536 0.92 GALR3 (0.36) GALR3RAB9AKCNH2GPR119LMNA
SCHEMBL1981132 0.92 KCNH2 (0.37) GALR3RAB9AKCNH2GPR119LMNA
Hydrochloric Acid SCHEMBL842999 0.92 MCHR1 (0.37) GALR3RAB9AKCNH2GPR119LMNA
SCHEMBL1982919 0.91 KCNH2 (0.39) GALR3RAB9AKCNH2GPR119UBE2M
Hydrochloric Acid SCHEMBL843150 0.90 KCNH2 (0.38) GALR3RAB9AKCNH2GPR119UBE2M
SCHEMBL1981620 0.90 GALR3 (0.44) GALR3RAB9ALMNAQPCTUBE2M
SCHEMBL842802 0.89 KCNH2 (0.39) GALR3RAB9AKCNH2GPR119UBE2M
Hydrochloric Acid SCHEMBL842751 0.89 GALR3 (0.43) GALR3RAB9ALMNAQPCTUBE2M

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-8410276-B2 Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-04-02 US 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 953/4885KCNH2 4002/4885

“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.