SCHEMBL949034

SCHEMBL949034

CN1C=C2C(=O)N(C3CCN(C(=O)CCCS(=O)(=O)C=Cc4ccc(Cl)cc4)CC3)CN2C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
F10 P00742 7/20 0.35
KDM4E B2RXH2 1/20 0.34
F2 P00734 2/20 0.34
MAPT P10636 2/20 0.33
HRH3 Q9Y5N1 5/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC1 Q13547 1/20 0.32
CNR1 P21554 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL948709 0.95 F10 (0.38) ALDH1A1LMNAMEN1HPGDKMT2A
SCHEMBL948425 0.80 F10 (0.39) ALDH1A1LMNAMEN1HPGDKMT2A
SCHEMBL948341 0.76 F10 (0.63) F10F2
Hydrochloric Acid SCHEMBL949834 0.75 F10 (0.62) F10F2
Hydrochloric Acid SCHEMBL948714 0.75 NPC1 (0.41) ALDH1A1LMNAMEN1HPGDKMT2A
SCHEMBL3448784 0.75 EPHX2 (0.46) LMNAMAPTSMN1; SMN2CNR1
SCHEMBL949035 0.74 F10 (0.62) ALDH1A1LMNAMEN1HPGDKMT2A
SCHEMBL949033 0.74 F10 (0.62) ALDH1A1LMNAMEN1HPGDKMT2A
SCHEMBL949018 0.74 F10 (0.47) F10F2
SCHEMBL949173 0.74 F10 (0.39) F10F2MAPT

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 ALDH1A1 2246/4885LMNA 2660/4885MEN1 1291/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 ALDH1A1 2316/4885LMNA 2787/4885MEN1 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.