SCHEMBL2105250

SCHEMBL2105250

Cc1nc[nH]c1C(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
COMT P21964 3/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CASP1 P29466 1/20 0.35
DAO P14920 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
QPCT Q16769 1/20 0.33
CYP19A1 P11511 1/20 0.33
HTT P42858 1/20 0.33
TYR P14679 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.32
HTR2C P28335 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
Hydrochloric Acid SCHEMBL27738301 0.98 LMNA (0.37) LMNAHSD17B10SMN1; SMN2COMTKMT2A
Ether SCHEMBL2103763 0.88 ATM (0.34) LMNAHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL9967679 0.73
SCHEMBL24426979 0.70
SCHEMBL23337417 0.70
SCHEMBL9783044 0.69 LMNA (0.34) LMNAHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL27284822 0.68 KEAP1 (0.31) KDM4EMAPT
Benzene SCHEMBL28192760 0.67 TAAR1 (0.50) LMNAKMT2AKDM4EALDH1A1TYR
SCHEMBL169730 0.67 TAAR1 (0.50) LMNAKMT2AKDM4EALDH1A1TYR
SCHEMBL7499823 0.67 TAAR1 (0.50) LMNAKMT2AKDM4EALDH1A1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
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
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
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
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 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-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives CRY1, GPR119, MTNR1A LMNA 2786/4885HSD17B10 1223/4885SMN1; SMN2 1595/4885

“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.