SCHEMBL14224672

SCHEMBL14224672

Cn1cc([N+](=O)[O-])cc1-c1nc2cc(OCCN3CCOCC3)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RUNX1 Q01196 3/20 0.47
PDGFRB P09619 2/20 0.46
FGFR1 P11362 1/20 0.46
KDR P35968 1/20 0.46
LTA4H P09960 1/20 0.44
PDGFRA P16234 1/20 0.44
MAOA P21397 1/20 0.42
PPARG P37231 1/20 0.41
SYK P43405 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 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
SCHEMBL14224680 0.84 ACHE (0.54) ACHENPC1KDM4EALDH1A1RUNX1
SCHEMBL3380697 0.78 FGFR1 (0.67) ACHENPC1KDM4EALDH1A1RAB9A
SCHEMBL21017211 0.74 ACHE (0.74) ACHENPC1RAB9ARUNX1LTA4H
SCHEMBL14224669 0.74 MEN1 (0.49) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14224673 0.73 PDGFRB (0.45) ACHENPC1KDM4EALDH1A1RAB9A
SCHEMBL5424701 0.73 SIRT6 (0.47) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL3382470 0.72 KDR (0.60) ACHEKDM4ERUNX1PDGFRBFGFR1
SCHEMBL519451 0.72 LTA4H (0.71) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL19228811 0.71 ACHE (0.66) ACHENPC1RUNX1PDGFRBFGFR1
SCHEMBL5333969 0.71 CHEK2 (0.47) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7265129-B2 Anti-infective biaryl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2007-09-04 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-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS QTRT1, Q6ZSR9, QTRT2 ACHE 634/4885NPC1 796/4885KDM4E 3096/4885

“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.