SCHEMBL12670643

SCHEMBL12670643

N#Cc1cn(-c2ccc(C(=O)O)cc2)nc1-c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.74
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
NPSR1 Q6W5P4 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.50
ALOX12 P18054 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL12670723 0.88 TSHR (0.57) TSHRNPC1RAB9AMEN1KMT2A
SCHEMBL12670667 0.88 TSHR (0.57) TSHRNPC1RAB9AMEN1KMT2A
SCHEMBL12670645 0.86 TSHR (0.65) TSHRNPC1RAB9ANPSR1MEN1
SCHEMBL12670712 0.85 NPC1 (0.74) TSHRNPC1RAB9AMEN1KMT2A
SCHEMBL12670716 0.84 LMNA (0.61) TSHRNPC1RAB9AHSD17B10
SCHEMBL12670664 0.84 TSHR (0.51) TSHRNPSR1MEN1KMT2AALDH1A1
SCHEMBL12670722 0.84 TSHR (0.51) TSHRNPC1RAB9ANPSR1
SCHEMBL12670721 0.84 TSHR (0.51) TSHRNPC1RAB9ANPSR1ALDH1A1
SCHEMBL12670719 0.84 TSHR (0.51) TSHRNPSR1MEN1KMT2AALDH1A1
SCHEMBL12670660 0.82 MEN1 (0.58) TSHRNPC1RAB9ANPSR1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947707-B2 Nitrogenated heterocyclic compound and pharmaceutical composition comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-05-24 US disclosed
US-7947707-B2 Nitrogenated heterocyclic compound and pharmaceutical composition comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-05-24 US disclosed
US-20090306396-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
US-20090306396-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US 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-20090306396-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME XDH, CBR3, CBR1 TSHR 1257/4885NPC1 851/4885RAB9A 4018/4885

“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.