SCHEMBL4228345

SCHEMBL4228345

CCC(CC)NC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2C)cc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 5/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 3/20 0.53
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PKM P14618 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
MAPK1 P28482 2/20 0.44
TRPV1 Q8NER1 1/20 0.43
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.41
TBXA2R P21731 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
SCHEMBL4240960 0.88 PKM (0.58) MAPTALDH1A1KMT2ALMNAHTT
SCHEMBL4236591 0.85 PKM (0.53) MAPTALDH1A1KMT2ALMNAHTT
SCHEMBL4686748 0.85 HTT (0.56) MAPTALDH1A1KMT2ALMNAHTT
SCHEMBL4686742 0.85 HTT (0.56) MAPTALDH1A1KMT2ALMNAHTT
SCHEMBL4233787 0.84 PKM (0.56) PKMTAS1R3TAS1R1MAPK1POLB
SCHEMBL4785167 0.83 TBXA2R (0.56) MAPTALDH1A1KMT2ALMNAHTT
SCHEMBL4227907 0.82 MEN1 (0.55) MAPTALDH1A1KMT2ALMNAHTT
SCHEMBL4233910 0.81 MEN1 (0.54) MAPTKMT2ALMNAHTTMEN1
SCHEMBL4232323 0.80 TAS1R3 (0.53) MAPTALDH1A1KMT2ALMNAHTT
SCHEMBL4226643 0.79 PKM (0.47) MAPTALDH1A1KMT2ALMNAHTT

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R MAPT 1398/4885ALDH1A1 4542/4885KMT2A 3436/4885

“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.