SCHEMBL7760650

SCHEMBL7760650

Cc1cc(C(C)(C)C)c2cc(Br)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CASP3 P42574 2/20 0.44
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.43
RXFP1 Q9HBX9 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NT5E P21589 1/20 0.41
PRNP P04156 2/20 0.41
HTT P42858 2/20 0.41
MPO P05164 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PAX8 Q06710 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL30758177 0.87 ALDH1A1 (0.50) GAAALDH1A1KDM4ECASP3MAPT
SCHEMBL29324195 0.82 LMNA (0.58) KDM4EMAPTTDP1CYP1A2HTT
SCHEMBL13990744 0.81 NT5E (0.41) GAAALDH1A1KDM4ECASP3MAPT
SCHEMBL13990739 0.79 DHODH (0.43) GAAALDH1A1KDM4ECASP3ATM
SCHEMBL15724648 0.78 CYP1A2 (0.57) GAAALDH1A1KDM4ECASP3MAPT
SCHEMBL30048942 0.78 CYP1A2 (0.57) GAAALDH1A1KDM4ECASP3MAPT
SCHEMBL7757528 0.77 POLB (0.58) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL803410 0.77 CYP1A2 (0.60) ALDH1A1KDM4EMAPTTDP1CYP1A2
SCHEMBL4966064 0.75 ALDH1A1 (0.55) GAAALDH1A1KDM4ECASP3MAPT
SCHEMBL4966407 0.75 LMNA (0.68) GAAALDH1A1KDM4ECASP3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 US disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 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 (2 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-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A GAA 238/4885ALDH1A1 2782/4885KDM4E 2347/4885
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A GAA 268/4885ALDH1A1 2928/4885KDM4E 2437/4885

“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.