SCHEMBL1663147

SCHEMBL1663147

O=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccccc1C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
RAB9A P51151 3/20 0.45
HTT P42858 2/20 0.45
CASP3 P42574 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
NCOA1 Q15788 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
P2RX1 P51575 2/20 0.41
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL1663985 0.94 MEN1 (0.43) MEN1KMT2ARAB9AHTTCASP3
SCHEMBL1663557 0.78 KMT2A (0.56) MEN1KMT2ARAB9AHTTCASP3
SCHEMBL6120691 0.76 KCNMA1 (0.63) MEN1KMT2ARAB9AHTTNPC1
SCHEMBL8748376 0.72 HTR2C (0.51) MEN1KMT2AHTTMAPTGAA
SCHEMBL1663896 0.71 MEN1 (0.65) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL7676460 0.71 HTR2C (0.51) GAA
SCHEMBL28240413 0.71 HTR2C (0.47) ALDH1A1
SCHEMBL10192578 0.71 TNF (0.48) MEN1KMT2ARAB9AHTTALDH1A1
SCHEMBL1006493 0.69 IKBKB (0.53)
SCHEMBL7670262 0.69 HTR2C (0.56)

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 10 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
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
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 MEN1 1370/4885KMT2A 2225/4885RAB9A 4230/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MEN1 1395/4885KMT2A 806/4885RAB9A 3140/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MEN1 1395/4885KMT2A 806/4885RAB9A 3140/4885

“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.