SCHEMBL18586017

SCHEMBL18586017

Nc1cc(Cc2cccc(OCc3ccccc3)c2)cc(N)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.61
MPO P05164 1/20 0.60
MAOB P27338 4/20 0.59
BCHE P06276 3/20 0.53
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
ALOX5 P09917 1/20 0.50
NOS1 P29475 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NOS2 P35228 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL15305717 0.82 MAOB (0.58) DHFRMPOMAOBALOX5MEN1
SCHEMBL18586501 0.82 DHFR (0.65) DHFRMPOMAOBBCHECYP4F2
SCHEMBL19380824 0.80 DHFR (0.57) DHFRALDH1A1MEN1KMT2ACYP3A4
SCHEMBL18621217 0.79 DHFR (0.63) DHFRSMN1; SMN2
SCHEMBL12290980 0.78 CALM1 (0.55) MPONOS1ALDH1A1NOS2RAB9A
SCHEMBL18620558 0.78 MPO (0.59) DHFRMPOMAOBBCHECYP4F2
SCHEMBL15761340 0.76 BCHE (0.70) MAOBBCHECYP4F2CYP4A11ALOX5
SCHEMBL1268719 0.76 MAOB (0.81) MAOBBCHECYP4F2CYP4A11ALOX5
SCHEMBL18586989 0.75 DHFR (0.48) DHFRMPOMAOBBCHECYP4F2
SCHEMBL28506572 0.75 DHFR (0.54) DHFRMPOMAOBBCHECYP4F2

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-20180282320-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2018-10-04 US disclosed
WO-2017040451-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
WO-2017040451-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 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-20180282320-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 DHFR 1044/4885MPO 2/4885MAOB 47/4885

“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.