SCHEMBL1981306

SCHEMBL1981306

CCCCN(C(=O)Nc1cc(C(N)=O)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3C)nc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.40
RAB9A P51151 1/20 0.40
MCHR1 Q99705 2/20 0.36
TP53 P04637 2/20 0.36
UBE2M P61081 9/20 0.36
DCUN1D1 Q96GG9 9/20 0.36
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.33
PTBP1 P26599 1/20 0.33
P2RX3 P56373 1/20 0.33
THRB P10828 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 SCHEMBL843357 0.99 GALR3 (0.39) GALR3RAB9AMCHR1TP53UBE2M
SCHEMBL1983490 0.99 GALR3 (0.40) GALR3RAB9AMCHR1TP53UBE2M
Hydrochloric Acid SCHEMBL841545 0.98 GALR3 (0.39) GALR3RAB9AMCHR1TP53UBE2M
SCHEMBL1983526 0.95 GALR3 (0.40) GALR3RAB9AMCHR1TP53UBE2M
SCHEMBL841947 0.95 GALR3 (0.39) GALR3RAB9AMCHR1TP53UBE2M
Hydrochloric Acid SCHEMBL843046 0.95 GALR3 (0.39) GALR3RAB9AMCHR1TP53UBE2M
Hydrochloric Acid SCHEMBL842916 0.94 GALR3 (0.38) GALR3RAB9AMCHR1TP53UBE2M
SCHEMBL1983613 0.93 GALR3 (0.39) GALR3RAB9AMCHR1TP53UBE2M
SCHEMBL1980383 0.93 MCHR1 (0.41) GALR3RAB9AMCHR1TP53UBE2M
SCHEMBL1981620 0.93 GALR3 (0.44) GALR3RAB9AMCHR1UBE2MDCUN1D1

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 3 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
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 953/4885MCHR1 3486/4885

“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.