SCHEMBL1663559

SCHEMBL1663559

COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.64
RAB9A P51151 9/20 0.63
NPC1 O15118 8/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
TP53 P04637 4/20 0.63
ALOX15 P16050 1/20 0.63
ALDH1A1 P00352 5/20 0.60
MAPT P10636 6/20 0.60
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
POLB P06746 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
GAA P10253 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
PKM P14618 1/20 0.58
LMNA P02545 1/20 0.58
KCNK9 Q9NPC2 1/20 0.57

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
SCHEMBL21462320 0.88 ALOX5 (0.60) ALOX5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL1456138 0.88 RAB9A (0.60) ALOX5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL8714517 0.84 MEN1 (0.70) ALOX5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL8711180 0.84 ALOX5 (0.64) ALOX5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL1455079 0.83 MEN1 (0.64) ALOX5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL11485213 0.83 ALOX5 (0.63) ALOX5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL6119890 0.83 MAPT (0.60) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL1665808 0.82 MAPT (0.52) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL2061754 0.82 ALOX5 (0.77) ALOX5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL2633343 0.82 ALOX5 (0.77) ALOX5RAB9ANPC1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 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 (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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL ALOX5 4476/4885RAB9A 4230/4885NPC1 4635/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALOX5 3940/4885RAB9A 3140/4885NPC1 4555/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALOX5 3940/4885RAB9A 3140/4885NPC1 4555/4885

“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.