SCHEMBL2220795

SCHEMBL2220795

COc1ccc(OC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.53
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MGLL Q99685 1/20 0.51
HSD11B1 P28845 1/20 0.51
HTT P42858 3/20 0.51
GRIN2C Q14957 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL2220789 1.00 RXFP1 (0.53) RXFP1ALDH1A1MAPTKDM4ENPC1
SCHEMBL2217629 0.90 ALDH1A1 (0.49) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2219414 0.90 ALDH1A1 (0.49) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2217633 0.90 ALDH1A1 (0.49) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1581412 0.87 ALDH1A1 (0.57) ALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL1581413 0.87 ALDH1A1 (0.57) ALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL2219227 0.86 MGLL (0.57) ALDH1A1KDM4EMGLLHSD11B1KMT2A
SCHEMBL2219230 0.86 MGLL (0.57) ALDH1A1KDM4EMGLLHSD11B1KMT2A
SCHEMBL22735357 0.84 RXFP1 (0.49) RXFP1ALDH1A1MAPTKDM4ENPC1
SCHEMBL1580394 0.84 HRH1 (0.56) ALDH1A1KDM4ERAB9AMGLLHSD11B1

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-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 RXFP1 4454/4885ALDH1A1 3932/4885MAPT 2660/4885

“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.