SCHEMBL4470405

SCHEMBL4470405

CCN(CC)Cc1ccc(NC(=O)c2cc3cc(OCc4cncc(Cl)c4)ccc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 6/20 0.48
NHERF1 O14745 3/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
TP53 P04637 1/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
SRD5A2 P31213 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR1 P21554 1/20 0.41
PRNP P04156 1/20 0.41

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
SCHEMBL13864592 0.89 NPC1 (0.48) PYGLNHERF1NPC1RAB9ARXFP1
SCHEMBL4467264 0.87 PYGL (0.50) PYGLNHERF1NPC1RAB9ARXFP1
SCHEMBL4460803 0.86 KDM4E (0.59) NPC1RAB9ARXFP1TP53KDM4E
Trifluoroacetic Acid SCHEMBL4470187 0.84 KDM4E (0.46) PYGLNHERF1NPC1RAB9ARXFP1
SCHEMBL13864597 0.82 KDM4E (0.51) PYGLNHERF1NPC1RAB9ARXFP1
SCHEMBL13864623 0.81 KDM4E (0.48) PYGLNHERF1NPC1RAB9ARXFP1
SCHEMBL4470610 0.80 KDM4E (0.53) NPC1RAB9ARXFP1TP53KDM4E
Trifluoroacetic Acid SCHEMBL4466678 0.79 KDM4E (0.45) PYGLNHERF1NPC1RAB9ARXFP1
Trifluoroacetic Acid SCHEMBL4474971 0.78 KDM4E (0.46) PYGLNPC1RAB9ARXFP1TP53
SCHEMBL4464557 0.77 KDM4E (0.57) PYGLNPC1RAB9ARXFP1TP53

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-7531668-B2 2-arylcarboxamide-nitrogenous heterocycle compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-12 US disclosed
US-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MSD K.K. (JP) 2007-12-27 US disclosed
EP-1798221-A1 2-ARYLCARBOXAMIDE-NITROGENEOUS HETEROCYCLE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-20 EP 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 (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-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MCHR2, MCHR1, NPY2R PYGL 3427/4885NHERF1 1908/4885NPC1 864/4885

“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.