SCHEMBL948235

SCHEMBL948235

COC(=O)[C@@H](O)CSc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PYGL P06737 2/20 0.37
LMNA P02545 2/20 0.37
MMP2 P08253 1/20 0.37
ADAM17 P78536 1/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL947915 1.00 MTNR1A (0.39) MTNR1AMTNR1BMEN1KMT2ACYP3A4
SCHEMBL948935 0.87 ALOX15 (0.43) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL949434 0.83 KMO (0.44) CYP2C9CYP2C19MMP2
SCHEMBL949305 0.83 KMO (0.44) CYP2C9CYP2C19MMP2
SCHEMBL27670173 0.83 KMO (0.44) CYP2C9CYP2C19MMP2
SCHEMBL7014510 0.81 ALOX15 (0.42) CYP3A4CYP2C9CYP2C19LMNASMN1; SMN2
SCHEMBL950415 0.78 ALDH1A1 (0.51) CYP2C9CYP2C19LMNAHPGDSMN1; SMN2
SCHEMBL947775 0.78 ALDH1A1 (0.51) CYP2C9CYP2C19LMNAHPGDSMN1; SMN2
SCHEMBL28023324 0.77 HPGD (0.45) KMT2ACYP3A4CYP2C9CYP2C19LMNA
SCHEMBL7016500 0.75 MAPT (0.52) KMT2ACYP3A4CYP2C19LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 MTNR1A 488/4885MTNR1B 539/4885MEN1 1291/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 MTNR1A 678/4885MTNR1B 733/4885MEN1 1197/4885

“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.