SCHEMBL16304871

SCHEMBL16304871

CCc1nc(I)c(C(=O)NCC2CCCCC2)n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.46
▸ MDM2 Q00987 7/20 0.45
▸ AGTR1 P30556 1/20 0.44
▸ AGTR2 P50052 1/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.43
▸ MLYCD O95822 1/20 0.43
▸ GSK3B P49841 1/20 0.41
▸ RORC P51449 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLS O94925 1/20 0.39
▸ NAPEPLD Q6IQ20 1/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL17684508 0.88 PTGER4 (0.49) PTGER4MDM2GSK3BRORCKDM4E
SCHEMBL17684510 0.88 PTGER4 (0.49) PTGER4MDM2GSK3BRORCKDM4E
SCHEMBL16304872 0.83 AGTR2 (0.42) PTGER4MDM2AGTR1AGTR2HDAC6
SCHEMBL16304455 0.79 PTGER4 (0.46) PTGER4MDM2HDAC6MLYCDGSK3B
SCHEMBL20113509 0.76 PTGER4 (0.44) PTGER4MDM2HDAC6MLYCDGSK3B
SCHEMBL20113478 0.75 PTGER4 (0.43) PTGER4MDM2HDAC6MLYCDGSK3B
SCHEMBL17684481 0.74 PTGER4 (0.53) PTGER4MDM2AGTR1AGTR2GSK3B
SCHEMBL16304060 0.74 PTGER4 (0.53) PTGER4MDM2AGTR1AGTR2GSK3B
SCHEMBL20113520 0.74 PTGER4 (0.42) PTGER4MDM2AGTR1AGTR2HDAC6
SCHEMBL20113513 0.74 PTGER4 (0.42) PTGER4MDM2HDAC6MLYCDGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2017-05-11 — — US disclosed
WO-2014200075-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT 科研製薬株式会社 (JP) 2014-12-18 — — 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-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 PTGER4 1/4885MDM2 4001/4885AGTR1 234/4885

“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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