SCHEMBL18180501

SCHEMBL18180501

COc1nccc(-c2ccc(CO)cc2)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 6/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 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
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ ACACB O00763 1/20 0.37
▸ 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
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37

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
SCHEMBL18180213 0.87 MEN1 (0.44) FYNKDM4EMEN1KMT2ACYP1A2
SCHEMBL18180502 0.77 CYP11B1 (0.54) CYP17A1
SCHEMBL19330231 0.74 MEN1 (0.39) KDM4EMEN1KMT2ACYP1A2CYP3A4
SCHEMBL24227006 0.70 FYN (0.59) FYNNPC1MAPTRAB9AMKNK1
SCHEMBL12740944 0.70 MRGPRX4 (0.47) FYNKDM4ECYP1A2CYP3A4NPC1
SCHEMBL12736497 0.70 MRGPRX4 (0.47) FYNKDM4ECYP1A2CYP3A4NPC1
SCHEMBL25650131 0.69 STING1 (0.34) KDM4EMEN1KMT2ACYP1A2CYP3A4
SCHEMBL424596 0.69 S1PR1 (0.47) FYNKDM4EMEN1KMT2AL3MBTL1
SCHEMBL16113459 0.69 CTSA (0.44) FYNKDM4EMEN1KMT2ACYP1A2
SCHEMBL30516666 0.68 CCR1 (0.59) FYNMEN1KMT2ANPC1MAPT

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 6 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
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 FYN 958/4885KDM4E 3548/4885MEN1 574/4885

“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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