SCHEMBL124501

SCHEMBL124501

Cc1nn(-c2cccc(F)c2)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
ADORA3 P0DMS8 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KEAP1 Q14145 1/20 0.42
GAA P10253 1/20 0.41
NOTUM Q6P988 1/20 0.40
ADORA2A P29274 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
SCHEMBL716443 0.84 POLB (0.42) POLBPTGS2ALDH1A1KDM4EMAPT
SCHEMBL718810 0.84 PKM (0.44) POLBPTGS2ALDH1A1KDM4EMAPT
SCHEMBL718967 0.81 MEN1 (0.53) POLBPTGS2ALDH1A1KDM4EMAPK1
SCHEMBL719535 0.81 PTGS2 (0.63) POLBPTGS2ALDH1A1KDM4EMAPT
SCHEMBL1805377 0.77 ERN1 (0.40) POLBPTGS2ALDH1A1KDM4EMAPT
SCHEMBL717229 0.77 ALDH1A1 (0.40) POLBALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL23928489 0.75 PTGS2 (0.65) POLBPTGS2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1808978 0.73 ALDH1A1 (0.37) POLBPTGS2ALDH1A1KDM4EMAPT
SCHEMBL1812768 0.73 ALDH1A1 (0.42) POLBPTGS2ALDH1A1KDM4EMAPT
SCHEMBL3089719 0.73 FAAH (0.40) POLBALDH1A1KDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 EP disclosed
EP-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 EP disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
EP-2201002-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-06-30 EP disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 WO disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 WO 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-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C POLB 4166/4885PTGS2 480/4885ALDH1A1 2150/4885

“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.