SCHEMBL7988912

SCHEMBL7988912

O=C(c1ccc(NC(=O)c2ccccn2)cc1)c1ccc(NC(=O)c2ccccn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.65
RAB9A P51151 7/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
GRM4 Q14833 4/20 0.65
PKM P14618 3/20 0.65
MAPT P10636 2/20 0.65
KDM4E B2RXH2 1/20 0.61
MITF O75030 1/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
KDR P35968 3/20 0.60
KCNK3 O14649 1/20 0.60
KCNK9 Q9NPC2 1/20 0.60
PTGDR2 Q9Y5Y4 1/20 0.60
AURKB Q96GD4 2/20 0.59
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
KLF5 Q13887 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58

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
SCHEMBL8770378 0.90 KCNK3 (0.58) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL4323035 0.88 NPC1 (0.63) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL30693673 0.88 NPC1 (0.63) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL674215 0.87 HDAC2 (0.62) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL3099619 0.87 NPC1 (0.63) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL231897 0.85 KDR (0.78) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL28947571 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL4311315 0.84 SMN1; SMN2 (0.71) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL29184186 0.84 KDR (0.76) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL6037590 0.83 KDR (0.78) NPC1RAB9ASMN1; SMN2GRM4PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191146-B1 BACTERICIDES, FUNGICIDES, VIRICIDES SMITHKLINE BEECHAM CORPORATION 2001-02-20 US claimed
EP-0866700-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-04-07 EP claimed
EP-0866700-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-30 EP claimed
WO-1997017958-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 WO claimed
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 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
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
US-6191146-B1 BACTERICIDES, FUNGICIDES, VIRICIDES SMITHKLINE BEECHAM CORPORATION 2001-02-20 US disclosed
EP-0866700-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-04-07 EP disclosed
EP-0866700-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-30 EP disclosed
WO-1997017958-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 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 4635/4885RAB9A 4230/4885SMN1; SMN2 3850/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NPC1 4555/4885RAB9A 3140/4885SMN1; SMN2 941/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NPC1 4555/4885RAB9A 3140/4885SMN1; SMN2 941/4885

“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.