SCHEMBL948935

SCHEMBL948935

CCOC(=O)C(O)CSc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
CYP3A4 P08684 4/20 0.40
MAPT P10636 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ABCB11 O95342 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
PPARA Q07869 1/20 0.38
PPARD Q03181 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL7014510 0.90 ALOX15 (0.42) ALOX15CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL947915 0.87 MTNR1A (0.39) CYP3A4CYP2C9CYP2C19LMNASMN1; SMN2
SCHEMBL948235 0.87 MTNR1A (0.39) CYP3A4CYP2C9CYP2C19LMNASMN1; SMN2
SCHEMBL949305 0.82 KMO (0.44) CYP2C9CYP2C19RAB9A
SCHEMBL27670173 0.82 KMO (0.44) CYP2C9CYP2C19RAB9A
SCHEMBL949434 0.82 KMO (0.44) CYP2C9CYP2C19RAB9A
SCHEMBL950288 0.78 ALOX15 (0.43) ALOX15CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL949030 0.78 HTT (0.53) ALOX15MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL16596057 0.77 ALOX15 (0.42) ALOX15CYP3A4MAPTALDH1A1LMNA
SCHEMBL27041447 0.76 CYP3A4 (0.52) CYP3A4MAPTCYP2C9CYP2C19ALDH1A1

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 3 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
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP 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 ALOX15 1326/4885CYP3A4 29/4885MAPT 4771/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 ALOX15 1125/4885CYP3A4 40/4885MAPT 4800/4885

“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.