SCHEMBL1980383

SCHEMBL1980383

CCCCN(C(=O)Nc1cc(C(N)=O)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3Cl)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.41
GALR3 O60755 1/20 0.39
RAB9A P51151 1/20 0.39
UBE2M P61081 9/20 0.39
DCUN1D1 Q96GG9 9/20 0.39
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PTBP1 P26599 1/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX3 P56373 1/20 0.34

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 SCHEMBL842602 0.99 MCHR1 (0.40) MCHR1GALR3RAB9AUBE2MDCUN1D1
SCHEMBL1982954 0.99 MCHR1 (0.41) MCHR1GALR3RAB9AUBE2MDCUN1D1
Hydrochloric Acid SCHEMBL842808 0.98 MCHR1 (0.40) MCHR1GALR3RAB9AUBE2MDCUN1D1
SCHEMBL1983044 0.95 GALR3 (0.39) MCHR1GALR3RAB9AUBE2MDCUN1D1
Hydrochloric Acid SCHEMBL843547 0.95 GALR3 (0.39) MCHR1GALR3RAB9AUBE2MDCUN1D1
SCHEMBL1981911 0.94 MCHR1 (0.40) MCHR1GALR3RAB9AUBE2MDCUN1D1
SCHEMBL1981306 0.93 GALR3 (0.40) MCHR1GALR3RAB9AUBE2MDCUN1D1
Hydrochloric Acid SCHEMBL841526 0.93 MCHR1 (0.40) MCHR1GALR3RAB9AUBE2MDCUN1D1
Hydrochloric Acid SCHEMBL843357 0.93 GALR3 (0.39) MCHR1GALR3RAB9AUBE2MDCUN1D1
SCHEMBL1981620 0.93 GALR3 (0.44) MCHR1GALR3RAB9AUBE2MDCUN1D1

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 MCHR1 3486/4885GALR3 650/4885RAB9A 953/4885

“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.