SCHEMBL5482658

SCHEMBL5482658

Cc1ccccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 1/20 0.47
NR2F2 P24468 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 5/20 0.46
P2RX7 Q99572 1/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
KCNJ1 P48048 1/20 0.45
CCR2 P41597 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRPV6 Q9H1D0 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL5470513 0.88 ALDH1A1 (0.54) KDM4ESMN1; SMN2MAPK1RAB9AALDH1A1
SCHEMBL5479921 0.84 P2RX7 (0.50) ALDH1A1P2RX7LMNA
SCHEMBL11549238 0.82 POLB (0.61) KDM4ESMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL5482202 0.76 CCR2 (0.55) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL5474128 0.76 DRD2 (0.45) P2RX7
SCHEMBL5470893 0.75 MAPT (0.47) KDM4ESMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL5626457 0.74 ALDH1A1 (0.74) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL5475968 0.74 POLB (0.50) KDM4EMAPK1ALDH1A1P2RX7LMNA
SCHEMBL5480340 0.73 P2RX7 (0.49) NPC1RAB9AALDH1A1P2RX7LMNA
SCHEMBL5473676 0.73 ALDH1A1 (0.61) KDM4ESMN1; SMN2MAPK1NPC1NR2F2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010529-A1 Nitrogenous heterocyclic compounds and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-11 US 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-20070010529-A1 Nitrogenous heterocyclic compounds and medical use thereof MAPK1, NOS1, NOS2 KDM4E 4309/4885SMN1; SMN2 1822/4885MAPK1 1/4885

“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.