SCHEMBL5750876

SCHEMBL5750876

Cc1cccc(-c2cc3cnccc3nc2NC(=O)NC2CCCCO2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
STAT3 P40763 1/20 0.38
STAT1 P42224 1/20 0.38
ROCK2 O75116 1/20 0.38
MAPT P10636 3/20 0.37
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IMPDH2 P12268 1/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM6B O15054 1/20 0.36
TSHR P16473 2/20 0.36
GRM5 P41594 1/20 0.35

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
SCHEMBL5866958 0.92 FGFR1 (0.36) SMN1; SMN2ROCK2MAPTLCKCSF1R
SCHEMBL5746318 0.87 LCK (0.36) RAB9AKDM4ESMN1; SMN2ROCK2MAPT
SCHEMBL5748571 0.86 NPC1 (0.51) NPC1RAB9AMAPTTHRBRXFP1
SCHEMBL5747419 0.85 CYP11B1 (0.38) NPC1RAB9ASMN1; SMN2ROCK2RXFP1
SCHEMBL5746959 0.83 KDM4C (0.34) ALDH1A1KDM4EHPGDSMN1; SMN2ROCK2
SCHEMBL5749479 0.82 CYP46A1 (0.37) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL5751077 0.82 PDGFRB (0.40) NPC1RAB9AROCK2MAPTLMNA
SCHEMBL5748748 0.80 TYK2 (0.44) ROCK2KDRFGFR1SRC
SCHEMBL5866725 0.80 IMPDH2 (0.45) SMN1; SMN2MEN1KMT2AIMPDH2FGFR1
SCHEMBL5777109 0.80 GAA (0.39) ROCK2MAPTKDM4CTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372648-B1 TIE2 RECEPTOR KINASE INHIBITORS FOR TREATING ANGIOGENIC DISEASES SMITHKLINE BEECHAM CORP (US) 2006-03-15 EP disclosed
US-7005434-B2 Compounds and uses thereof SB CORPORATION (US) 2006-02-28 US disclosed
US-20040048888-A1 Novel compounds and uses thereof SMITHKLINE BEECHAM CORPORATION 2004-03-11 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 (1 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-20040048888-A1 Novel compounds and uses thereof TEK, TIE1, KDR ALDH1A1 1375/4885NPC1 2798/4885RAB9A 2298/4885

“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.