SCHEMBL3140763

SCHEMBL3140763

Nc1ccc(CNC(=O)[CH]Cc2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL3149644 0.83 NAMPT (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3154818 0.81 NAMPT (0.55) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL3141272 0.80 F10 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3154969 0.80 NAMPT (0.39) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL3153994 0.80 NNMT (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3153398 0.80 EPHX2 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3149479 0.80 EPHX2 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3144880 0.79 F2 (0.50) TSHRSMN1; SMN2
SCHEMBL3149587 0.78 SLC6A2 (0.41) TSHRALDH1A1SMN1; SMN2EPHX2LMNA
SCHEMBL3154319 0.78 MEN1 (0.40) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 TSHR 2969/4885ALDH1A1 147/4885GABRP 1565/4885

“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.