SCHEMBL4756677

SCHEMBL4756677

NC[C@@H](N)c1ccc(NC(=O)c2ccco2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.64
NPC1 O15118 10/20 0.64
PTPN2 P17706 1/20 0.61
PTPN1 P18031 1/20 0.61
PTPN6 P29350 1/20 0.61
PTPN11 Q06124 1/20 0.61
TP53 P04637 8/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
GAA P10253 2/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
GFER P55789 1/20 0.57
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
PKM P14618 1/20 0.55
LMNA P02545 2/20 0.54
APOBEC3G Q9HC16 1/20 0.53

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 0.85 ALDH1A1 (0.58) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4706492 0.85 ALDH1A1 (0.58) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL18906007 0.83 RAB9A (0.71) RAB9ANPC1PTPN2PTPN1PTPN6
SCHEMBL5999016 0.82 PTPN2 (0.63) RAB9ANPC1PTPN2PTPN1PTPN6
SCHEMBL18906008 0.81 PTPN2 (0.71) RAB9ANPC1PTPN2PTPN1PTPN6
SCHEMBL17660221 0.80 RAB9A (0.74) RAB9ANPC1PTPN2PTPN1PTPN6
SCHEMBL28898828 0.78 PTPN2 (0.67) RAB9ANPC1PTPN2PTPN1PTPN6
SCHEMBL7716927 0.77 PTPN2 (0.75) RAB9ANPC1PTPN2PTPN1PTPN6
SCHEMBL2832346 0.77 APOBEC3G (0.71) RAB9ANPC1PTPN2PTPN1PTPN6
SCHEMBL6637453 0.76 PTPN2 (0.77) RAB9ANPC1PTPN2PTPN1PTPN6

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 RAB9A 745/4885NPC1 919/4885PTPN2 3874/4885

“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.