SCHEMBL2961186

SCHEMBL2961186

O=C(ON1c2cn[nH]c(=O)c2N(Cc2ccccc2)C1N1CCNCC1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TRPC5 Q9UL62 4/20 0.38
TIPARP Q7Z3E1 3/20 0.37
JAK2 O60674 2/20 0.32
SYK P43405 1/20 0.32
KCNH2 Q12809 1/20 0.32
TRPC4 Q9UBN4 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL2966295 0.86 SIGMAR1 (0.32) HTR6SIGMAR1CHRM3
SCHEMBL2965274 0.84 BRD9 (0.33) ALDH1A1TRPC5HTR2BHTR6
SCHEMBL2961380 0.82 TIPARP (0.32) TIPARP
SCHEMBL2962537 0.82 PFKFB3 (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL2952472 0.81 DRD2 (0.35) ALDH1A1KDM4EL3MBTL1HTR2BHTR6
SCHEMBL2968180 0.81 MRGPRX1 (0.33) HTR2BHTR6
SCHEMBL2958559 0.81 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP2C9HSD17B10HTR2B
SCHEMBL2959531 0.80 NPC1 (0.36) ALDH1A1KCNH2KDM4EHSD17B10L3MBTL1
SCHEMBL2958884 0.78 DPP4 (0.38) ALDH1A1SYKHTR6
SCHEMBL2952648 0.78 HTR6 (0.34) ALDH1A1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 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 (5 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 ALDH1A1 1186/4885TRPC5 1467/4885TIPARP 4495/4885
US-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 ALDH1A1 1467/4885TRPC5 1619/4885TIPARP 4701/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 ALDH1A1 3230/4885TRPC5 1690/4885TIPARP 2843/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 ALDH1A1 686/4885TRPC5 1983/4885TIPARP 4625/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 ALDH1A1 686/4885TRPC5 1983/4885TIPARP 4625/4885

“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.