SCHEMBL3600178

SCHEMBL3600178

COc1cc(CNC(=O)c2ccc(F)cc2C)c(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.49
HPGD P15428 6/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
NLRP3 Q96P20 1/20 0.45
MAPK14 Q16539 2/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RCE1 Q9Y256 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.43
KCNK3 O14649 1/20 0.43

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
SCHEMBL3605068 0.81 ROCK2 (0.47) PDE10AHPGDALDH1A1HTTGAA
SCHEMBL19743901 0.79 CHRM4 (0.46) HTTLMNAMAPK1PPARGCHRM4
SCHEMBL3600179 0.76 MAPT (0.48) HPGDALDH1A1HTTGAAKDM4E
SCHEMBL17339612 0.73 PDE10A (0.52) PDE10AHPGDALDH1A1HTTGAA
SCHEMBL15686616 0.73 HPGD (0.64) PDE10AHPGDALDH1A1HTTKDM4E
SCHEMBL25376547 0.72 SLC6A9 (0.46) ALDH1A1HTTMAPK14NPC1LMNA
SCHEMBL29544393 0.72 AKR1B1 (0.59) PDE10AHPGDALDH1A1ROCK2ROCK1
SCHEMBL18988584 0.72 AKR1B1 (0.59) PDE10AHPGDALDH1A1ROCK2ROCK1
SCHEMBL31070363 0.71 MAPT (0.48) PDE10AHPGDALDH1A1ROCK2ROCK1
SCHEMBL16135579 0.71 ALDH1A1 (0.54) PDE10AHPGDALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS ARISTA LUCA 2010-02-25 US claimed
US-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS ARISTA LUCA 2010-02-25 US disclosed
EP-2146970-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS Novartis Ag (CH) 2010-01-27 EP disclosed
WO-2008125627-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS NOVARTIS AG (CH) 2008-10-23 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-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS GPBAR1, GPER1, ADRB1 PDE10A 925/4885HPGD 576/4885ALDH1A1 558/4885

“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.