SCHEMBL6017954

SCHEMBL6017954

FC(F)(F)c1cc(Cl)ccc1-c1cc[c]s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
PDK2 Q15119 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
HSD11B1 P28845 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SCN9A Q15858 3/20 0.31
KDM4C Q9H3R0 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31
SCN5A Q14524 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL2749905 0.82 CES2 (0.39) GLAPOLBGAATSHRSCN9A
SCHEMBL1415902 0.78 AHR (0.42) GAATSHRRAB9AHSD11B1KDM4E
SCHEMBL30867127 0.76 TSHR (0.54) GLAPOLBGAATSHRPDK2
SCHEMBL5917609 0.76 ALDH1A1 (0.46) PDK2CYP1A2HSD11B1
SCHEMBL5917558 0.76 NOTUM (0.40) GAATSHRHSD11B1KDM4E
SCHEMBL2751874 0.74 TP53 (0.38) TSHRRAB9A
SCHEMBL5917656 0.72 HSP90AA1 (0.42) KDM4E
SCHEMBL2753200 0.72 CES2 (0.39) CYP2D6PTGDR2SCN9ATMPRSS4SCN5A
SCHEMBL2895183 0.72 RAB9A (0.38) PDK2CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL5917590 0.71 IDO1 (0.39) POLBKDM4E

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
US-7067509-B2 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-06-27 US claimed
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-23 US claimed
WO-2004080411-A2 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO claimed

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-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R GLA 3706/4885POLB 4686/4885GAA 681/4885

“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.