SCHEMBL1663381

SCHEMBL1663381

O=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 4/20 0.59
NPC1 O15118 3/20 0.56
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 1/20 0.56
ATM Q13315 1/20 0.56
PTPN1 P18031 1/20 0.55
MCL1 Q07820 1/20 0.54
MITF O75030 1/20 0.54
KCNK3 O14649 1/20 0.54
KCNK9 Q9NPC2 1/20 0.54
SNCA P37840 1/20 0.52
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 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
SCHEMBL8301169 0.91 MEN1 (0.58) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL1456159 0.87 MEN1 (0.63) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL6119890 0.87 MAPT (0.60) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL1663554 0.85 PHGDH (0.59) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL1663704 0.85 MEN1 (0.60) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL1663896 0.85 MEN1 (0.65) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL14221428 0.85 KMT2A (0.59) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL1663888 0.82 GAA (0.60) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL1663559 0.82 ALOX5 (0.64) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL4728442 0.82 NPC1 (0.58) RAB9AMEN1KMT2AMAPTNPC1

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 12 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
CN-102656141-B Micromolecular compound of simulation hemopoieticgrowth factor and uses thereof LIGAND PHARMACEUTICALS INC. (US) 2016-04-06 CN 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
CN-103282034-A Use of hematopoietic growth factor mimetics LIGAND PHARM INC 2013-09-04 CN disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
CN-102656141-A Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARM INC 2012-09-05 CN 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 RAB9A 4230/4885MEN1 1370/4885KMT2A 2225/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF RAB9A 3140/4885MEN1 1395/4885KMT2A 806/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF RAB9A 3140/4885MEN1 1395/4885KMT2A 806/4885

“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.