SCHEMBL4704067

SCHEMBL4704067

Cc1cc(C(=O)Nc2cccc([C@H](N)CNCCOCc3ccccc3)c2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
TP53 P04637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSD17B10 Q99714 2/20 0.41
PDK1 Q15118 1/20 0.41
SGPL1 O95470 1/20 0.41
GLA P06280 1/20 0.40
HTT P42858 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
SCHEMBL4702351 0.84 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1USP2CYP1A2MAPT
SCHEMBL4705481 0.83 KCNK3 (0.49) SMN1; SMN2ALDH1A1CYP1A2MAPTLMNA
SCHEMBL5943378 0.78 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1USP2MAPTRAB9A
SCHEMBL6000072 0.72 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1USP2MAPTRAB9A
SCHEMBL21695725 0.72 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1USP2CYP1A2MAPT
SCHEMBL4999755 0.71 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1USP2CYP1A2MAPT
SCHEMBL8199152 0.71 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1USP2CYP1A2MAPT
SCHEMBL4704061 0.71 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1USP2CYP1A2MAPT
SCHEMBL8267163 0.70 SMN1; SMN2 (0.88) SMN1; SMN2ALDH1A1USP2MAPTRAB9A
SCHEMBL8266868 0.70 RAB9A (0.77) SMN1; SMN2ALDH1A1USP2CYP1A2MAPT

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-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 EP disclosed
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 US disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 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 (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-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C SMN1; SMN2 2022/4885ALDH1A1 2371/4885USP2 2868/4885

“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.