SCHEMBL13836690

SCHEMBL13836690

COC(=O)c1ccc(C(=O)N(c2ccc(OC)cc2)c2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
POLB P06746 4/20 0.43
TDP1 Q9NUW8 1/20 0.42
MMP12 P39900 1/20 0.41
QPCT Q16769 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38

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
SCHEMBL13836685 0.90 KMT2A (0.45) KMT2ANPC1RAB9APOLBTDP1
SCHEMBL13836478 0.90 KMT2A (0.49) KMT2ANPC1RAB9APOLBTDP1
SCHEMBL13836677 0.90 NPC1 (0.47) KMT2ANPC1RAB9ACA1CA2
SCHEMBL13836642 0.89 CA1 (0.49) KMT2ANPC1RAB9ACA1CA2
SCHEMBL30799777 0.78 KMT2A (0.54) KMT2ANPC1RAB9ACA1CA2
SCHEMBL29779902 0.77 KMT2A (0.52) KMT2ANPC1RAB9ACA1CA2
SCHEMBL1379298 0.77 KMT2A (0.52) KMT2ANPC1RAB9ACA1CA2
Hydrochloric Acid SCHEMBL2958779 0.76 KMT2A (0.51) KMT2ANPC1RAB9ACA1CA2
SCHEMBL2112462 0.74 KDM4E (0.59) KMT2ARAB9ACA1CA2KDM4E
Sulfuric Acid SCHEMBL7332400 0.72 KMT2A (0.48) KMT2ANPC1RAB9ACA1CA2

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 5 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
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL KMT2A 2225/4885NPC1 4635/4885RAB9A 4230/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KMT2A 806/4885NPC1 4555/4885RAB9A 3140/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KMT2A 806/4885NPC1 4555/4885RAB9A 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.