SCHEMBL2536767

SCHEMBL2536767

[CH2]Oc1ccc(C(=O)NC2CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 7/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HPGD P15428 2/20 0.55
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMYD3 Q9H7B4 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
LMNA P02545 1/20 0.48
F2 P00734 2/20 0.47
ST14 Q9Y5Y6 2/20 0.47
HPGDS O60760 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL2536771 0.82 NPC1 (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2319509 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2539899 0.80 NPC1 (0.71) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL95000 0.79 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6629291 0.79 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL27777054 0.79 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10294129 0.78 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3678482 0.78 MCHR1 (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1477302 0.77 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6569206 0.77 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 RAB9A 2274/4885NPC1 1159/4885SMN1; SMN2 3569/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 RAB9A 2471/4885NPC1 1195/4885SMN1; SMN2 3448/4885

“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.