SCHEMBL4500085

SCHEMBL4500085

Oc1cccc(NCCCF)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.51
CYP3A4 P08684 3/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL6152560 0.87 HTR7 (0.50) HTR7CYP3A4TSHRALDH1A1MAPT
SCHEMBL11508113 0.86 CYP3A4 (0.56) HTR7CYP3A4TSHRALDH1A1MAPT
SCHEMBL9149358 0.85 HTR7 (0.49) HTR7CYP3A4TSHRALDH1A1MAPT
Bromide SCHEMBL21436754 0.85 HTR7 (0.49) HTR7CYP3A4TSHRALDH1A1MAPT
SCHEMBL5159176 0.85 HTR7 (0.51) HTR7CYP3A4TSHRALDH1A1MAPT
SCHEMBL11934987 0.84 HTR7 (0.48) HTR7CYP3A4TSHRALDH1A1MAPT
SCHEMBL3224710 0.83 F2R (0.50) HTR7CYP3A4TSHRALDH1A1MAPT
SCHEMBL6151959 0.82 KMT2A (0.48) HTR7CYP3A4TSHRALDH1A1MAPT
SCHEMBL1220305 0.81 HTR7 (0.49) HTR7CYP3A4TSHRALDH1A1MAPT
SCHEMBL6408527 0.81 HTR7 (0.49) HTR7CYP3A4TSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569337-B2 Labeling brain tissues in vivo or in vitro; 3-Benzothiazol-2-yl-7-[4-(2-fluoro-ethyl)-piperazin-1-yl]-chromen-2-one; diagnosis, monitoring the effectiveness of a therapeutic treatment and detecting histopathological hallmarks of Alzheimer's disease NOVARTIS AG (CH) 2009-08-04 US disclosed
US-20050169837-A1 Coumarines useful as biomarkers NOVARTIS AG (CH) 2005-08-04 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-20050169837-A1 Coumarines useful as biomarkers CCNB1, CBR1, CYP1A1 HTR7 3352/4885CYP3A4 20/4885TSHR 3409/4885

“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.