SCHEMBL17100681

SCHEMBL17100681

COc1cc(CCN2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.53
▸ GAA P10253 1/20 0.53
▸ THRB P10828 2/20 0.46
▸ CXCR1 P25024 1/20 0.45
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ S1PR1 P21453 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL17100674 0.90 MAPT (0.42) MAPTGAATHRBLMNAHTT
SCHEMBL17100789 0.90 MAPT (0.53) MAPTGAATHRBLMNAHTT
SCHEMBL17101015 0.84 MAPT (0.42) MAPTGAATHRBLMNAHTT
SCHEMBL17100860 0.83 SIGMAR1 (0.57) MAPTGAATHRBLMNAHTT
SCHEMBL17100580 0.82 MAPT (0.52) MAPTGAATHRBCXCR1LMNA
SCHEMBL14486193 0.82 FAAH (0.45) THRBNPC1RAB9A
SCHEMBL21905668 0.80 MAPT (0.48) MAPTGAATHRBCXCR1LMNA
SCHEMBL17100673 0.79 ALDH1A1 (0.57) MAPTGAALMNAALDH1A1SMN1; SMN2
SCHEMBL17100809 0.77 ALDH1A1 (0.54) MAPTGAALMNAALDH1A1TSHR
SCHEMBL17100740 0.77 LOX (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 — — US claimed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 — — US claimed
EP-3119774-A1 OXADIAZOLE COMPOUNDS reMynd NV (BE) 2017-01-25 — — EP claimed
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 — — WO claimed
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 — — US disclosed
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 — — US disclosed
US-10562869-B2 Oxadiazole compounds REMYND NV (BE) 2020-02-18 — — US disclosed
US-10562869-B2 Oxadiazole compounds REMYND NV (BE) 2020-02-18 — — US disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 — — US disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 — — US disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 — — US disclosed
EP-3119774-A1 OXADIAZOLE COMPOUNDS reMynd NV (BE) 2017-01-25 — — EP disclosed
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 — — 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 (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-10562869-B2 Oxadiazole compounds OXA1L, PSEN1, MAPT MAPT 3/4885GAA 310/4885THRB 726/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT MAPT 3/4885GAA 426/4885THRB 788/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT MAPT 3/4885GAA 310/4885THRB 726/4885

“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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