SCHEMBL3605068

SCHEMBL3605068

COc1cc(F)cc(F)c1CNC(=O)c1ccc(F)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.47
ROCK1 Q13464 5/20 0.47
MAPK14 Q16539 1/20 0.47
PDE10A Q9Y233 2/20 0.44
EZH2 Q15910 3/20 0.44
EED O75530 1/20 0.44
RBBP4 Q09028 1/20 0.44
SUZ12 Q15022 1/20 0.44
AEBP2 Q6ZN18 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KLKB1 P03952 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 4/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 1/20 0.41
GLA P06280 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
SCHEMBL3600178 0.81 PDE10A (0.49) ROCK2ROCK1MAPK14PDE10AALDH1A1
SCHEMBL3599534 0.76 MAPT (0.46) ALDH1A1CYP1A2CYP3A4CYP2C19HTT
SCHEMBL25376547 0.72 SLC6A9 (0.46) MAPK14ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL7980249 0.70 GAA (0.48) MAPK14ALDH1A1HPGDGAASMN1; SMN2
SCHEMBL14454130 0.70 POLB (0.53) ALDH1A1CYP1A2HPGDHTTSMN1; SMN2
SCHEMBL18641913 0.70 HPGD (0.59) ROCK2ROCK1ALDH1A1HPGDHTT
SCHEMBL25808285 0.70 ALDH1A1 (0.67) ALDH1A1HPGDHTTGAAPKM
SCHEMBL20447555 0.69 ALDH1A1 (0.46) MAPK14ALDH1A1HTTSMN1; SMN2
SCHEMBL16135579 0.69 ALDH1A1 (0.54) PDE10AALDH1A1HPGDHTTLMNA
SCHEMBL14454129 0.69 MMP1 (0.43) MAPK14ALDH1A1HTTSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7507754-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-03-24 US disclosed
US-20080039502-A1 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-02-14 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
US-20040192767-A1 EP4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2004-09-30 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 (4 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-20090143437-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, NR4A2 ROCK2 3216/4885ROCK1 3266/4885MAPK14 2234/4885
US-20040192767-A1 EP4 receptor antagonists PTGER4, PTGER1, NR4A1 ROCK2 3081/4885ROCK1 3063/4885MAPK14 2505/4885
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, PTGER1 ROCK2 3303/4885ROCK1 3349/4885MAPK14 2247/4885
US-20080039502-A1 EP4 receptor antagonists PTGER4, NR4A1, PTGER1 ROCK2 3280/4885ROCK1 3365/4885MAPK14 2220/4885

“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.