SCHEMBL4716261

SCHEMBL4716261

Cc1ccc(Cl)cc1N=C1NCCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 3/20 0.38
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 1/20 0.33
IDO1 P14902 1/20 0.33
AHR P35869 1/20 0.32
AVPR1A P37288 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
TP53 P04637 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL10689485 0.86 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPTHPGDKDM4E
SCHEMBL5157568 0.81 HPGD (0.47) ALDH1A1CYP3A4MAPTHPGDSMN1; SMN2
SCHEMBL5154978 0.79 ALDH1A1 (0.42) ALDH1A1CYP3A4MAPTHPGDKDM4E
Flutonidine SCHEMBL5154947 0.79 NISCH (0.41) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5157866 0.78 ITGB3 (0.40) CYP3A4MAPTHPGDSMN1; SMN2AHR
Hydrochloric Acid SCHEMBL11018810 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4MAPTHPGDKDM4E
SCHEMBL11450479 0.76
SCHEMBL11375823 0.75 AHR (0.32) AHRHTR2AHTR2CHTR2B
SCHEMBL11371070 0.75 TAAR1 (0.34) CYP3A4MAPTHPGDSMN1; SMN2CYP2C19
SCHEMBL11356667 0.73 MAPT (0.38) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981498-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-la Roche AG (CH) 2008-10-22 EP claimed
US-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US claimed
WO-2007090720-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO claimed
EP-1981498-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-la Roche AG (CH) 2008-10-22 EP disclosed
US-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
WO-2007090720-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
WO-2007090720-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 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-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives CRY1, HTR2C, PER2 ALDH1A1 867/4885CYP3A4 98/4885MAPT 17/4885

“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.