SCHEMBL4706492

SCHEMBL4706492

NCC(N)c1cccc(NC(=O)c2ccco2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 2/20 0.56
KCNK3 O14649 2/20 0.56
KCNK9 Q9NPC2 2/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 2/20 0.55
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.54
RECQL P46063 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL5243911 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1KCNK3KCNK9LMNA
SCHEMBL4756677 0.85 RAB9A (0.64) LMNAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5998231 0.83 ALDH1A1 (0.51) ALDH1A1MAPK1KCNK3KCNK9LMNA
SCHEMBL18906009 0.81 ALDH1A1 (0.67) ALDH1A1MAPK1KCNK3KCNK9LMNA
SCHEMBL23011774 0.80 ALDH1A1 (0.84) ALDH1A1MAPK1KCNK3KCNK9LMNA
SCHEMBL4701679 0.80 KMT2A (0.58) ALDH1A1MAPK1LMNAMAPTKMT2A
SCHEMBL4701467 0.79 HDAC6 (0.43) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL4705481 0.78 KCNK3 (0.49) ALDH1A1MAPK1KCNK3KCNK9LMNA
SCHEMBL3647264 0.76 ALDH1A1 (0.68) ALDH1A1MAPK1KCNK3KCNK9LMNA
SCHEMBL4705983 0.76 ALDH1A1 (0.54) ALDH1A1MAPTRAB9ASMN1; SMN2KMT2A

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 ALDH1A1 2371/4885MAPK1 1014/4885KCNK3 229/4885

“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.