SCHEMBL2373540

SCHEMBL2373540

CCc1cc(C(=O)Cl)no1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
THRB P10828 1/20 0.48
TP53 P04637 2/20 0.46
SMYD3 Q9H7B4 2/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.39

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
SCHEMBL9593485 0.85 RAB9A (0.57) SMN1; SMN2RAB9ANPC1MAPTHPGD
SCHEMBL2131964 0.82 TP53 (0.50) SMN1; SMN2THRBTP53SMYD3RAB9A
SCHEMBL3066466 0.82 ALDH1A1 (0.42) SMN1; SMN2THRBRAB9ANPC1MAPT
SCHEMBL2619071 0.80 THRB (0.48) SMN1; SMN2THRBTP53SMYD3RAB9A
SCHEMBL9817341 0.80 RAB9A (0.37) SMN1; SMN2SMYD3RAB9ANPC1MAPT
SCHEMBL11533407 0.80 SMN1; SMN2 (0.49) SMN1; SMN2THRBTP53SMYD3RAB9A
SCHEMBL3066648 0.79 ALDH1A1 (0.60) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL21939043 0.77 THRB (0.56) SMN1; SMN2THRBTP53SMYD3RAB9A
SCHEMBL14069154 0.77 THRB (0.56) SMN1; SMN2THRBTP53SMYD3RAB9A
SCHEMBL18255998 0.77 MRGPRX4 (0.52) SMN1; SMN2THRBTP53SMYD3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552918-B1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS HOFFMANN LA ROCHE (CH) 2014-06-11 EP disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-8410117-B2 Imidazopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
EP-2552918-A1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-02-06 EP disclosed
US-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2011-09-29 US disclosed
WO-2011117264-A1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
EP-0378111-B1 Isoxazole derivatives having anti-serotonin activity, their preparation process and compositions containing them ZAMBON SPA (IT) 1994-06-01 EP disclosed
US-4988691-A Analgesics, cardiovascular disorders, nervous system disorders ZAMBON GROUP S.P.A. (IT) 1991-01-29 US disclosed
EP-0378111-A1 Isoxazole derivatives having anti-serotonin activity, their preparation process and compositions containing them ZAMBON GROUP S.p.A. (IT) 1990-07-18 EP 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-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES PDE5A, PDE3B, PDE3A SMN1; SMN2 1594/4885THRB 2443/4885TP53 4687/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMN1; SMN2 4/4885THRB 2602/4885TP53 4360/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMN1; SMN2 4/4885THRB 2602/4885TP53 4360/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMN1; SMN2 4/4885THRB 2602/4885TP53 4360/4885

“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.