SCHEMBL17735993

SCHEMBL17735993

COC(=O)c1cnc(Br)n1Cc1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ MAPT P10636 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TSHR P16473 1/20 0.51
▸ KMT2A Q03164 2/20 0.45
▸ P2RX3 P56373 6/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ NOD2 Q9HC29 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.41

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
SCHEMBL16304457 0.85 L3MBTL1 (0.58) L3MBTL1GAANPSR1MAPTLMNA
SCHEMBL17684894 0.85 KDM4E (0.46) L3MBTL1GAANPSR1MAPTLMNA
SCHEMBL17735992 0.83 L3MBTL1 (0.59) L3MBTL1GAANPSR1MAPTLMNA
SCHEMBL31138462 0.80 IDO1 (0.50) GAANPSR1MAPTSMN1; SMN2KMT2A
SCHEMBL17735994 0.80 L3MBTL1 (0.52) L3MBTL1GAANPSR1MAPTLMNA
SCHEMBL12682985 0.78 SMN1; SMN2 (0.39) GAANPSR1MAPTSMN1; SMN2TSHR
SCHEMBL4415107 0.76 AR (0.55) L3MBTL1GAANPSR1MAPTLMNA
SCHEMBL31138715 0.76 CCR2 (0.51) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL18185702 0.76 RAB9A (0.39) L3MBTL1GAANPSR1MAPTSMN1; SMN2
SCHEMBL31138411 0.75 KDM4E (0.44) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855257-B2 4-alkynyl imidazole derivative and medicine comprising same as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2018-01-02 — — US disclosed
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2017-05-11 — — US disclosed
US-9593081-B2 4-alkynyl imidazole derivative and medicine comprising same as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2017-03-14 — — US disclosed
US-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-05-12 — — 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 (2 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-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 L3MBTL1 4322/4885GAA 2715/4885NPSR1 1608/4885
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 L3MBTL1 4241/4885GAA 3870/4885NPSR1 1083/4885

“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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