SCHEMBL6809512

SCHEMBL6809512

O=C(Nc1cccc2[nH]ccc12)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHPS P49366 4/20 0.55
PARP1 P09874 2/20 0.53
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
NTRK1 P04629 1/20 0.48
RXFP1 Q9HBX9 4/20 0.47
HTT P42858 1/20 0.46
STING1 Q86WV6 1/20 0.46
TRPV1 Q8NER1 2/20 0.46
GAA P10253 1/20 0.45
HDAC11 Q96DB2 1/20 0.44
APOB P04114 1/20 0.44
MTTP P55157 1/20 0.44

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
SCHEMBL31156433 0.83 DHPS (0.76) DHPSPARP1RXFP1HTTSTING1
SCHEMBL7083817 0.78 HTT (0.56) CHRNB2CHRNB4CHRNA3CHRNA4NTRK1
SCHEMBL396869 0.77 CFTR (0.57) NTRK1STING1
SCHEMBL6800635 0.77 NPC1 (0.58) GAAAPOBMTTP
SCHEMBL7090984 0.76 PIK3CD (0.63)
SCHEMBL6670740 0.76 NTRK1 (0.47) PARP1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31423388 0.76 TRPV1 (0.58) DHPSPARP1RXFP1TRPV1
SCHEMBL9132799 0.76 LMNA (0.59) DHPSPARP1HTTGAA
SCHEMBL31156438 0.74 CYP1A2 (0.60) DHPSPARP1RXFP1TRPV1
SCHEMBL31393757 0.74 CHRNB2 (0.71) CHRNB2CHRNB4CHRNA3CHRNA4HTT

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-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 DHPS 4389/4885PARP1 2770/4885CHRNB2 676/4885

“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.