SCHEMBL2105637

SCHEMBL2105637

Cc1nc[nH]c1C(C)(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 1/20 0.41
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
RAF1 P04049 1/20 0.35
CYP1A2 P05177 1/20 0.35
CDK1 P06493 1/20 0.35
CYP2C9 P11712 1/20 0.35
CCNB1 P14635 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33

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
SCHEMBL249404 0.70 KMT2A (0.55) CYP3A4CYP2C19TSHRCYP1A2CYP2C9
SCHEMBL8981603 0.69 CYP2C19 (0.41) CYP3A4CYP2C19TSHRKDM4CKDM5B
Ammonia Solution, Strong SCHEMBL11855911 0.68 KMT2A (0.52) CYP3A4CYP2C19TSHRCYP1A2CYP2C9
SCHEMBL7404052 0.67 CYP17A1 (0.31) CYP3A4CYP17A1
SCHEMBL697087 0.67 CYP19A1 (0.47) CYP3A4CYP2C19TSHRKDM4CKDM5B
SCHEMBL6302051 0.67 CYP19A1 (0.47) CYP3A4CYP2C19TSHRKDM4CKDM5B
SCHEMBL11432364 0.66 KMT2A (0.46) CYP3A4CYP2C19TSHRCYP1A2CYP2C9
SCHEMBL8687699 0.66 CYP3A4 (0.41) CYP3A4CYP2C19TSHRKDM4CKDM5B
SCHEMBL8688642 0.66 CYP3A4 (0.41) CYP3A4CYP2C19TSHRKDM4CKDM5B
SCHEMBL4457147 0.65 MEN1 (0.50) CYP3A4CYP2C19TSHRALDH1A1ALOX15

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 5 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
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP disclosed
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 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
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 CYP3A4 38/4885CYP2C19 61/4885TSHR 162/4885

“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.