SCHEMBL3080087

SCHEMBL3080087

Cc1cc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)no1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.67
NPC1 O15118 4/20 0.67
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 1/20 0.57
MEN1 O00255 2/20 0.55
PIK3C3 Q8NEB9 1/20 0.55
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 1/20 0.48
MGLL Q99685 1/20 0.48
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL171227 0.84 NPC1 (0.58) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL14147271 0.81 RAB9A (0.58) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL897183 0.81 RAB9A (0.61) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL21479385 0.80 NPC1 (0.47) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL2746369 0.79 MGLL (0.47) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL2440741 0.76 ALDH1A1 (0.49) RAB9ANPC1ALDH1A1GAAMGLL
SCHEMBL29656505 0.75 MGLL (0.46) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL3573967 0.74 MAPT (0.66) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL14601827 0.74 MAPT (0.57) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL30475420 0.74 GAA (0.58) NPC1KMT2AALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
EP-2220078-B1 BENZOMORPHOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-05-22 EP disclosed
EP-2220078-B1 BENZOMORPHOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-05-22 EP disclosed
US-8338455-B2 Pyridines or pyrimidines having 4-(hydrogenated 1-pyridyl- or hydrogenated 1-isoquinolyl rings, e.g., N-(4-chlorophenyl)-2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide; kinase inhibitors; inflammation, angiogenesis and cancer AMGEN INC. (US) 2012-12-25 US disclosed
US-8338455-B2 Pyridines or pyrimidines having 4-(hydrogenated 1-pyridyl- or hydrogenated 1-isoquinolyl rings, e.g., N-(4-chlorophenyl)-2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide; kinase inhibitors; inflammation, angiogenesis and cancer AMGEN INC. (US) 2012-12-25 US disclosed
US-7795254-B2 Benzomorpholine derivatives and methods of use AMGEN INC. (US) 2010-09-14 US disclosed
US-7795254-B2 Benzomorpholine derivatives and methods of use AMGEN INC. (US) 2010-09-14 US disclosed
US-7795254-B2 Benzomorpholine derivatives and methods of use AMGEN INC. (US) 2010-09-14 US disclosed
EP-2220078-A2 BENZOMORPHOLINE DERIVATIVES AND METHODS OF USE Amgen, Inc (US) 2010-08-25 EP disclosed
US-20090149454-A1 Benzomorpholine derivatives and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
US-20090149454-A1 Benzomorpholine derivatives and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
US-20090149454-A1 Benzomorpholine derivatives and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
WO-2009058267-A2 BENZOMORPHOLINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2009-05-07 WO disclosed
WO-2009058267-A2 BENZOMORPHOLINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2009-05-07 WO disclosed
US-20080161346-A1 Compounds and methods of use AMGEN INC. (US) 2008-07-03 US disclosed
US-20080161346-A1 Compounds and methods of use AMGEN INC. (US) 2008-07-03 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 (3 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-20090149454-A1 Benzomorpholine derivatives and methods of use BDKRB2, BDKRB1, OPRK1 RAB9A 2757/4885NPC1 1214/4885KMT2A 3986/4885
US-20080161346-A1 Compounds and methods of use VHL, VEGFA, FLT1 RAB9A 1727/4885NPC1 237/4885KMT2A 4330/4885
US-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT RAB9A 3458/4885NPC1 3479/4885KMT2A 365/4885

“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.