SCHEMBL4701679

SCHEMBL4701679

NC[C@@H](N)c1cccc(NC(=O)c2ccno2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.50
RXFP2 Q8WXD0 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PARP1 P09874 1/20 0.48
HTT P42858 1/20 0.45
MAPT P10636 3/20 0.44
ACKR3 P25106 1/20 0.43
HTR2A P28223 1/20 0.43
F2RL1 P55085 1/20 0.43
HDAC1 Q13547 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KDR P35968 1/20 0.40
GAA P10253 2/20 0.40
MAPK14 Q16539 1/20 0.39
BACE1 P56817 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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 0.80 ALDH1A1 (0.58) KMT2AMEN1HTTMAPTMAPK1
SCHEMBL4706492 0.80 ALDH1A1 (0.58) KMT2AMEN1HTTMAPTMAPK1
SCHEMBL5943378 0.77 SMN1; SMN2 (0.62) KMT2AMEN1HTTMAPTKDM4E
SCHEMBL4701467 0.77 HDAC6 (0.43) KMT2AMEN1MAPTHDAC1KDR
SCHEMBL5996644 0.75 RAB9A (0.56) KMT2AMEN1HTTMAPTACKR3
SCHEMBL15599959 0.75 KMT2A (0.57) KMT2AMEN1RXFP2RXFP1PARP1
SCHEMBL5239842 0.75 RAB9A (0.56) KMT2AMEN1HTTMAPTACKR3
SCHEMBL4705983 0.74 ALDH1A1 (0.54) KMT2AMEN1MAPTALDH1A1
SCHEMBL6643138 0.74 HDAC1 (0.66) KMT2AMEN1RXFP2RXFP1HTT
SCHEMBL17874038 0.74 KMT2A (0.64) KMT2AMEN1RXFP2RXFP1HTT

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 KMT2A 716/4885MEN1 1880/4885RXFP2 4580/4885

“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.