SCHEMBL4867102

SCHEMBL4867102

O=C(O)CCOc1ccccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.72
NPC1 O15118 4/20 0.72
RECQL P46063 2/20 0.72
ALDH1A1 P00352 7/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
POLB P06746 3/20 0.59
KCNH2 Q12809 1/20 0.59
HTT P42858 1/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 2/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL4867096 1.00 RAB9A (0.72) RAB9ANPC1RECQLALDH1A1KMT2A
SCHEMBL9320548 0.92 NPC1 (0.70) RAB9ANPC1RECQLALDH1A1KMT2A
SCHEMBL8164415 0.92 NPC1 (0.70) RAB9ANPC1RECQLALDH1A1KMT2A
SCHEMBL27633714 0.89 NPC1 (0.66) RAB9ANPC1RECQLALDH1A1KMT2A
SCHEMBL19716283 0.86 RAB9A (0.70) RAB9ANPC1RECQLALDH1A1KMT2A
SCHEMBL9187561 0.84 NPC1 (1.00) RAB9ANPC1RECQLALDH1A1KMT2A
SCHEMBL1613946 0.83 ALDH1A1 (0.74) RAB9ANPC1RECQLALDH1A1KMT2A
SCHEMBL9642715 0.83 NPC1 (0.89) RAB9ANPC1RECQLALDH1A1KMT2A
SCHEMBL22660234 0.82 KDM4E (0.48) RAB9ANPC1RECQLALDH1A1KMT2A
SCHEMBL7684284 0.81 LMNA (0.45) RAB9ANPC1RECQLALDH1A1KMT2A

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-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 RAB9A 4025/4885NPC1 630/4885RECQL 1684/4885

“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.