SCHEMBL2535533

SCHEMBL2535533

[CH2]Oc1ccc(C(=O)N2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.71
ALDH1A1 P00352 9/20 0.71
KDM4E B2RXH2 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 2/20 0.57
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.55
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
MAPK1 P28482 1/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54

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
SCHEMBL2534408 0.98 HPGD (0.69) HPGDALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL27479149 0.84 HPGD (1.00) HPGDALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7132525 0.84 HPGD (1.00) HPGDALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10721733 0.82 HPGD (0.95) HPGDALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL2535536 0.82 HPGD (0.96) HPGDALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL28429770 0.81 HPGD (0.69) HPGDALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL6112281 0.81 HPGD (0.69) HPGDALDH1A1KDM4EL3MBTL1MEN1
Hydrochloric Acid SCHEMBL5213430 0.81 HPGD (0.93) HPGDALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL2534097 0.80 MEN1 (0.67) HPGDALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2534411 0.80 HPGD (1.00) HPGDALDH1A1KDM4EL3MBTL1MEN1

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-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
CN-1812981-A Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMA CO LTD (JP) 2006-08-02 CN 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 HPGD 477/4885ALDH1A1 3756/4885KDM4E 1047/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 HPGD 345/4885ALDH1A1 2837/4885KDM4E 1384/4885

“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.