SCHEMBL18180213

SCHEMBL18180213

COc1nccc(-c2ccc(CCl)cc2)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ GRM2 Q14416 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ FYN P06241 2/20 0.36
▸ NAAA Q02083 1/20 0.36
▸ SQOR Q9Y6N5 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL18180501 0.87 FYN (0.46) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL18180502 0.80 CYP11B1 (0.54) CYP17A1PIK3CA
SCHEMBL20015622 0.73 TTR (0.41) KDM4ECYP3A4ALDH1A1CYP17A1
SCHEMBL16113607 0.71 CTSA (0.43) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL30989366 0.69 TRPA1 (0.34) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL20864258 0.69 SLC13A5 (0.54) CYP3A4
SCHEMBL424070 0.69 FGFR2 (0.39) MEN1KMT2AKDM4EGRM2NPC1
SCHEMBL19932623 0.68 MKNK1 (0.53) CYP1A2USP1
SCHEMBL28097912 0.68 MAPT (0.41) MEN1KMT2ACYP3A4NPC1ALDH1A1
SCHEMBL19330231 0.67 MEN1 (0.39) MEN1KMT2AKDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180104220-A1 IMIDAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2018-04-19 — — US disclosed
US-20180104220-A1 IMIDAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2018-04-19 — — US disclosed
US-20180104220-A1 IMIDAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2018-04-19 — — US disclosed
EP-3287453-A1 IMIDAZOLE COMPOUND Medshine Discovery Inc. (CN) 2018-02-28 — — EP disclosed
EP-3287453-A1 IMIDAZOLE COMPOUND Medshine Discovery Inc. (CN) 2018-02-28 — — EP disclosed
CN-106065012-A Glyoxaline compound 广东众生药业股份有限公司 2016-11-02 — — CN disclosed
WO-2016169514-A1 IMIDAZOLE COMPOUND 广东众生药业股份有限公司 2016-10-27 — — WO 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 (1 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-20180104220-A1 IMIDAZOLE COMPOUND MAPT, SLC10A2, SLC5A11 MEN1 574/4885KMT2A 2814/4885KDM4E 3548/4885

“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.

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