SCHEMBL4704061

SCHEMBL4704061

NC(=O)c1cc(C(=O)Nc2cccc([CH]CNCCOCc3ccccc3)c2)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.38
ACR P10323 1/20 0.38
NPC1 O15118 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
SIRT2 Q8IXJ6 4/20 0.36
SIRT1 Q96EB6 3/20 0.36
SIRT3 Q9NTG7 3/20 0.36
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.35
PDE5A O76074 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL4702346 0.85 SMN1; SMN2 (0.39) SMN1; SMN2ACRNPC1MEN1KMT2A
SCHEMBL5943376 0.78 SMN1; SMN2 (0.43) SMN1; SMN2ACRNPC1RAB9AMAPT
SCHEMBL4704067 0.71 SMN1; SMN2 (0.47) SMN1; SMN2NPC1MEN1KMT2ACYP1A2
SCHEMBL4705473 0.66 KMT2A (0.44) SMN1; SMN2NPC1MEN1KMT2ACYP1A2
SCHEMBL4705481 0.63 KCNK3 (0.49) SMN1; SMN2NPC1MEN1KMT2ACYP1A2
SCHEMBL6239312 0.62 SMN1; SMN2 (0.52) SMN1; SMN2NPC1MEN1KMT2ACYP1A2
SCHEMBL29951102 0.62 MGLL (0.68) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL6209756 0.62 MGLL (0.68) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL6239811 0.60 SIRT2 (0.49) MEN1KMT2ACYP1A2SIRT2SIRT1
SCHEMBL27575159 0.60 MGLL (0.64) SMN1; SMN2NPC1RAB9AMAPTALDH1A1

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 2022/4885ACR 3338/4885NPC1 919/4885

“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.