SCHEMBL3561638

SCHEMBL3561638

C=Cc1nccn1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
CYP1A2 P05177 5/20 0.42
CYP2D6 P10635 5/20 0.42
CYP2C9 P11712 5/20 0.42
CYP2C19 P33261 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FDPS P14324 1/20 0.41
ALOX15B O15296 3/20 0.40
GAA P10253 2/20 0.40
CYP2E1 P05181 1/20 0.37
CYP2A6 P11509 1/20 0.37
ATM Q13315 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 4/20 0.35
FGFR1 P11362 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35

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
Imidazole SCHEMBL27886809 0.85 ALDH1A1 (0.36) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL9441512 0.82 CYP3A4 (0.42) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL28763247 0.81 CYP3A4 (0.42) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL2085218 0.81 ATM (0.48) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL8830211 0.81 CYP3A4 (0.43) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL9441377 0.78 CYP3A4 (0.48) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL28005734 0.74 NPC1 (0.43) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL15758610 0.74 PLA2G4A (0.47) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL15758608 0.74 PLA2G4A (0.47) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL27376195 0.74 CYP3A4 (0.46) CYP3A4L3MBTL1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102863387-B Novel synthetic method for imidazole onium salts UNIV SICHUAN 2015-07-08 CN claimed
CN-102867989-A Non-aqueous electrolyte ionic liquid additive for improving high-temperature performance of battery INST PROCESS ENG CAS 2013-01-09 CN claimed
CN-102820485-A Ionic liquid additive capable of promoting film formation of graphite cathode of lithium ion battery INST PROCESS ENG CAS 2012-12-12 CN claimed
CN-102810690-A High-voltage ionic liquid electrolyte for lithium ion battery and preparation method of high-voltage ionic liquid electrolyte INST PROCESS ENG CAS 2012-12-05 CN claimed
CN-101345325-A Lithium ion battery electrolytic solution for promoting graphite cathode film formation and lithium ion battery made by the same ZHANGJIAGANG GUOTAI HUARONG NE (CN) 2009-01-14 CN claimed
CN-113517470-A High-nickel high-voltage ternary lithium ion battery non-aqueous electrolyte and lithium ion battery 杉杉新材料(衢州)有限公司 2021-10-19 CN disclosed
CN-113394450-A Lithium cobaltate high-voltage lithium ion battery non-aqueous electrolyte and lithium ion battery 杉杉新材料(衢州)有限公司 2021-09-14 CN disclosed
CN-102867989-A Non-aqueous electrolyte ionic liquid additive for improving high-temperature performance of battery INST PROCESS ENG CAS 2013-01-09 CN disclosed
CN-102820485-A Ionic liquid additive capable of promoting film formation of graphite cathode of lithium ion battery INST PROCESS ENG CAS 2012-12-12 CN disclosed
CN-102810690-A High-voltage ionic liquid electrolyte for lithium ion battery and preparation method of high-voltage ionic liquid electrolyte INST PROCESS ENG CAS 2012-12-05 CN disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
CN-101345325-A Lithium ion battery electrolytic solution for promoting graphite cathode film formation and lithium ion battery made by the same ZHANGJIAGANG GUOTAI HUARONG NE (CN) 2009-01-14 CN disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 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 (3 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP3A4 3/4885L3MBTL1 1548/4885CYP1A2 12/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP3A4 3/4885L3MBTL1 1548/4885CYP1A2 12/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP3A4 3/4885L3MBTL1 1548/4885CYP1A2 12/4885

“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.