SCHEMBL2540701

SCHEMBL2540701

CCS(=O)(=O)N(C)c1cc[c]cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
REV1 Q9UBZ9 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
GALR3 O60755 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL1026245 0.84 CNR2 (0.39) MAPTALDH1A1MAPK1KDM4E
SCHEMBL21765905 0.84 MAPT (0.45) MAPTMCOLN3REV1ALDH1A1CA12
SCHEMBL9316076 0.81 MAPT (0.31) MAPTMCOLN3
SCHEMBL1176695 0.81
SCHEMBL486251 0.78 MEN1 (0.38) MAPTMCOLN3ALDH1A1KDM4ENPC1
SCHEMBL13762630 0.78 CA12 (0.50) MAPTMCOLN3REV1ALDH1A1MAPK1
SCHEMBL2536575 0.78 ESR1 (0.41) MAPTALDH1A1MAPK1
SCHEMBL2535615 0.77 ALDH1A1 (0.33) REV1ALDH1A1MAPK1CA12CA9
SCHEMBL5388755 0.77 KIF11 (0.49) MAPTMCOLN3CA12CA9NPC1
SCHEMBL10192055 0.77 MAPT (0.59) MAPTMCOLN3ALDH1A1MAPK1CA12

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
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 MAPT 3841/4885MCOLN3 1560/4885REV1 4733/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 MAPT 4280/4885MCOLN3 2411/4885REV1 4510/4885

“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.