SCHEMBL514723

SCHEMBL514723

c1ccc(C[N]Cc2ccc3cccnc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 6/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.40
PDE10A Q9Y233 2/20 0.39
CYP3A4 P08684 2/20 0.38
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.34
GMNN O75496 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 1/20 0.34
CYP2D6 P10635 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MMP8 P22894 1/20 0.34
CCR1 P32246 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
SCHEMBL4823229 0.77 ALDH1A1 (0.48) SUCNR1KDM4ELMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL7450279 0.74 KDM4E (0.42) SUCNR1KDM4ELMNAMEN1KMT2A
SCHEMBL3626562 0.73 CYP1A2 (0.46) ALDH1A1CYP3A4MAPTCYP2D6ALOX15
SCHEMBL2009161 0.72 CCR1 (0.48) SUCNR1KDM4ELMNAMEN1KMT2A
SCHEMBL19952703 0.72 ALDH1A1 (0.47) SUCNR1KDM4ELMNAMEN1KMT2A
SCHEMBL7514147 0.72 ALDH1A1 (0.47) SUCNR1KDM4ELMNAMEN1KMT2A
SCHEMBL3275331 0.72 KDM4E (0.50) SUCNR1KDM4ELMNAMEN1KMT2A
SCHEMBL28802123 0.71 KDM4E (0.42) SUCNR1KDM4ELMNAMEN1KMT2A
SCHEMBL12895009 0.70 PDE10A (0.49) SUCNR1KDM4ELMNAMEN1KMT2A
SCHEMBL28739245 0.70 KDM4E (0.57) SUCNR1KDM4ELMNAMEN1KMT2A

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-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-02-02 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-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR SUCNR1 124/4885KDM4E 4866/4885LMNA 794/4885

“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.