SCHEMBL4412940

SCHEMBL4412940

NC(=O)c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
PARP10 Q53GL7 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
MGMT P16455 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 1/20 0.46
CCR5 P51681 1/20 0.45
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL18153986 0.87 CYP19A1 (0.54) MAOBPARP10MEN1KMT2AALDH1A1
SCHEMBL4649097 0.87 MEN1 (0.60) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL30152254 0.83 MEN1 (0.51) MAOBMEN1KMT2AALDH1A1RAB9A
SCHEMBL3366592 0.83 MEN1 (0.51) MAOBMEN1KMT2AALDH1A1RAB9A
SCHEMBL4414521 0.82 MAOB (0.56) MAOBPARP10LMNAHTTMAOA
SCHEMBL30152359 0.81 MAPT (0.49) MAOBMEN1KMT2AMGMTMAPT
SCHEMBL141880 0.81 EGFR (0.59) MAOBMEN1KMT2AALDH1A1NPC1
SCHEMBL1406869 0.81 MRGPRX4 (0.54) MAOBMEN1KMT2AMGMTMAPT
SCHEMBL29555766 0.81 EGFR (0.59) MAOBMEN1KMT2AALDH1A1NPC1
SCHEMBL4031443 0.81 MEN1 (0.49) MAOBMEN1KMT2AALDH1A1MGMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699798-A4 DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2009-03-11 EP disclosed
EP-1699798-A2 DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS Bristol-Myers Squibb Company (US) 2006-09-13 EP disclosed
US-7064203-B2 Di-substituted pyrrolotriazine compounds BRISTOL MYERS SQUIBB COMPANY (US) 2006-06-20 US disclosed
US-20050197339-A1 Di-substituted pyrrolotrizine compounds BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 US disclosed
WO-2005065266-A2 DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO 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-20050197339-A1 Di-substituted pyrrolotrizine compounds ERBB2, ERBB4, EGFR MAOB 1629/4885PARP10 1347/4885MEN1 2876/4885

“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.