SCHEMBL949030

SCHEMBL949030

CCOC(=O)CCSc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 2/20 0.47
KMT2A Q03164 4/20 0.46
HPGD P15428 5/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 5/20 0.44
POLB P06746 4/20 0.44
ALOX15 P16050 1/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL7012021 0.92 MAPT (0.45) HTTPKMMAPTSMN1; SMN2MAPK1
SCHEMBL28932704 0.87 HTT (0.68) HTTPKMMAPTSMN1; SMN2MAPK1
SCHEMBL7016500 0.86 MAPT (0.52) HTTPKMMAPTSMN1; SMN2MAPK1
SCHEMBL7016534 0.79 TP53 (0.46) HTTPKMMAPTSMN1; SMN2KMT2A
SCHEMBL11615589 0.78 HTT (0.57) HTTPKMMAPTSMN1; SMN2MAPK1
SCHEMBL948935 0.78 ALOX15 (0.43) PKMMAPTSMN1; SMN2KMT2AHPGD
SCHEMBL6345753 0.78 CNR2 (0.53) MAPTKMT2AGAAMEN1
SCHEMBL13948873 0.77 ALDH1A1 (0.61) HTTPKMMAPTSMN1; SMN2MAPK1
SCHEMBL16596060 0.77 CYP4F2 (0.56) MAPTSMN1; SMN2KMT2AHPGDNPC1
SCHEMBL7014510 0.77 ALOX15 (0.42) HTTMAPTSMN1; SMN2ALDH1A1RAB9A

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 HTT 1774/4885PKM 1959/4885MAPT 4771/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 HTT 2246/4885PKM 1871/4885MAPT 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.