SCHEMBL2104239

SCHEMBL2104239

COc1ccc(Sc2ccc(Cc3c[nH]cn3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.51
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LTA4H P09960 2/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.37
ATM Q13315 1/20 0.37
APP P05067 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MPI P34949 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL11049508 0.91 LTA4H (0.47) ALDH1A1LMNALTA4HSMN1; SMN2POLB
SCHEMBL6965891 0.75 ALDH1A1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL6965898 0.75 GRIN2B (0.55) MAPT
SCHEMBL2103486 0.74 FGFR1 (0.50) LTA4HPOLB
SCHEMBL11050091 0.73 LPL (0.36) ALDH1A1LMNAMAPTSMN1; SMN2CYP2D6
SCHEMBL14076160 0.73 LTA4H (0.57) PTGIRALDH1A1LMNAMAPTHTT
SCHEMBL6972732 0.73 NOTUM (0.39) ALDH1A1HTTLTA4HPOLB
SCHEMBL2626824 0.71 HRH3 (0.60) PTGIRMAPTSMN1; SMN2POLB
SCHEMBL7971472 0.71 HRH3 (0.48) ALDH1A1LMNAMAPTNPSR1SMN1; SMN2
SCHEMBL7988592 0.70 TDP1 (0.45) ALDH1A1LMNAMAPTSMN1; SMN2POLB

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-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US claimed
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 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 (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-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives CRY1, GPR119, MTNR1A PTGIR 1416/4885ALDH1A1 351/4885LMNA 2786/4885

“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.