SCHEMBL1663908

SCHEMBL1663908

O=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccccc1-n1cnnn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.64
JAK2 O60674 2/20 0.59
JAK1 P23458 2/20 0.59
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
POLB P06746 1/20 0.51
GAA P10253 2/20 0.46
MITF O75030 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 3/20 0.45
THRB P10828 1/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL27868342 0.81 RXFP1 (0.61) NPC1MEN1KMT2AMAPTALDH1A1
SCHEMBL2885210 0.80 NPC1 (0.81) NPC1JAK2JAK1MEN1KMT2A
SCHEMBL30783842 0.75 ALDH1A1 (0.50) NPC1MEN1KMT2AMAPTALDH1A1
SCHEMBL4544213 0.75 ALDH1A1 (0.50) NPC1MEN1KMT2AMAPTALDH1A1
SCHEMBL6120691 0.75 KCNMA1 (0.63) NPC1MEN1KMT2AKDM4EPOLB
SCHEMBL1663496 0.75 ALDH1A1 (0.64) NPC1MEN1KMT2AMAPTALDH1A1
SCHEMBL1663092 0.75 KMT2A (0.56) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL1663557 0.75 KMT2A (0.56) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL1663896 0.73 MEN1 (0.65) NPC1MEN1KMT2AMAPTPOLB
SCHEMBL13995836 0.70 NPC1 (0.68) NPC1JAK2JAK1MEN1KMT2A

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 NPC1 4635/4885JAK2 136/4885JAK1 1020/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NPC1 4555/4885JAK2 52/4885JAK1 343/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NPC1 4555/4885JAK2 52/4885JAK1 343/4885

“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.