SCHEMBL2956803

SCHEMBL2956803

CC#CCn1c(Br)nc(C#N)c1C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
HPGD P15428 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CRHBP P24387 1/20 0.37
CYP2C19 P33261 1/20 0.37
CRHR2 Q13324 1/20 0.37
KDM4E B2RXH2 9/20 0.36
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPK1 P28482 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL13217093 0.85 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL3198143 0.84 KDM4E (0.36) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL3196117 0.80 KDM4E (0.34) ALDH1A1HPGDSMN1; SMN2CYP1A2KDM4E
SCHEMBL2964453 0.80 KDM4E (0.40) ALDH1A1HPGDCYP1A2KDM4EMAPT
SCHEMBL2959516 0.73 KCNH2 (0.46) ALDH1A1SMN1; SMN2CYP2C19NPSR1KMT2A
SCHEMBL27077764 0.70 KDM4E (0.46) ALDH1A1HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL8277780 0.68 MAPT (0.36) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL8277751 0.68 MEN1 (0.33) ALDH1A1TSHRKMT2AHSD17B10
SCHEMBL21889762 0.68 CA12 (0.39) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL8277758 0.68 LMNA (0.34) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C9

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 11 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-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-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 1186/4885HPGD 2288/4885SMN1; SMN2 416/4885
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 1467/4885HPGD 2117/4885SMN1; SMN2 4223/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 ALDH1A1 3230/4885HPGD 3058/4885SMN1; SMN2 4516/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 ALDH1A1 686/4885HPGD 3301/4885SMN1; SMN2 3923/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 ALDH1A1 686/4885HPGD 3301/4885SMN1; SMN2 3923/4885

“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.