SCHEMBL2534462

SCHEMBL2534462

[CH2]Cc1cccc(N(C)C(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR1A P08908 2/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
SIGMAR1 Q99720 4/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
BRD4 O60885 1/20 0.39
LIN28A Q9H9Z2 1/20 0.39
MAPT P10636 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL28508894 0.84 MTNR1B (0.46) SMN1; SMN2RAB9ATP53CRHBPCRHR2
SCHEMBL14491916 0.84 SIGMAR1 (0.55) SIGMAR1
SCHEMBL2288489 0.83 LOXL2 (0.46) SMN1; SMN2CRHBPCRHR2ALOX15HSD17B10
Hydrochloric Acid SCHEMBL1868254 0.81 NOS1 (0.45) SMN1; SMN2CRHBPCRHR2ALOX15HSD17B10
SCHEMBL1696796 0.81 HTR1A (0.45) SMN1; SMN2RAB9ATP53CRHBPCRHR2
SCHEMBL18970416 0.80 CRHBP (0.41) SMN1; SMN2CRHBPCRHR2ALOX15HSD17B10
SCHEMBL1692224 0.80 CRHBP (0.41) SMN1; SMN2RAB9ATP53CRHBPCRHR2
SCHEMBL12968968 0.79 ROCK1 (0.49) ALOX15HSD17B10ROCK2ROCK1MAPT
SCHEMBL27508311 0.79 BRD4 (0.48) SMN1; SMN2RAB9ASIGMAR1BRD4MAPT
SCHEMBL371033 0.78 ROCK1 (0.43) SMN1; SMN2RAB9ATP53CRHBPCRHR2

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 SMN1; SMN2 3569/4885RAB9A 2274/4885TP53 4881/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 SMN1; SMN2 3448/4885RAB9A 2471/4885TP53 4873/4885

“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.