SCHEMBL2539905

SCHEMBL2539905

[CH2]Cc1ccc(C(=O)N2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.71
ALDH1A1 P00352 6/20 0.71
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 1/20 0.56
HRH3 Q9Y5N1 1/20 0.55
MAPT P10636 3/20 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
MLYCD O95822 1/20 0.53
USP2 O75604 1/20 0.53

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
SCHEMBL2540185 0.98 HPGD (0.68) HPGDALDH1A1NPC1RAB9ALMNA
SCHEMBL27503754 0.86 HPGD (0.67) HPGDALDH1A1NPC1RAB9ALMNA
SCHEMBL7132525 0.84 HPGD (1.00) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL27479149 0.84 HPGD (1.00) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL5797269 0.84 HPGD (0.74) HPGDALDH1A1NPC1RAB9ALMNA
SCHEMBL95029 0.83 HPGD (0.80) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL95736 0.83 HPGD (0.80) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL7859869 0.83 PHGDH (0.63) HPGDALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL10721733 0.82 HPGD (0.95) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL5565832 0.82 HPGD (0.71) HPGDALDH1A1NPC1RAB9ALMNA

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 5 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
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 3756/4885NPC1 1159/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 HPGD 345/4885ALDH1A1 2837/4885NPC1 1195/4885

“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.