SCHEMBL13625659

SCHEMBL13625659

O=C(O)c1cc(CC2CCCC2)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
DAO P14920 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.40
KDM5B Q9UGL1 2/20 0.38
PKM P14618 2/20 0.38
KDM5A P29375 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NOTUM Q6P988 1/20 0.36
PPM1D O15297 1/20 0.35
HCAR3 P49019 1/20 0.35
RARB P10826 1/20 0.34

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
SCHEMBL1149201 0.81 DAO (0.49) RAB9ADAOSMN1; SMN2GAAPKM
SCHEMBL2660838 0.79 GABRA1 (0.41) RAB9ADAOSMN1; SMN2GAATDP1
SCHEMBL28760413 0.72 RAB9A (0.56) RAB9ASMN1; SMN2GAAPKMTDP1
SCHEMBL2919651 0.71 DAO (0.54) RAB9ADAOSMN1; SMN2GAAPKM
SCHEMBL875351 0.71 DAO (0.54) RAB9ADAOSMN1; SMN2GAAPKM
SCHEMBL13614197 0.71 DAO (0.54) RAB9ADAOSMN1; SMN2GAAPKM
SCHEMBL28240033 0.70 RAB9A (0.54) RAB9ADAOSMN1; SMN2GAAKDM5B
SCHEMBL5710422 0.69 DAO (0.53) RAB9ADAOSMN1; SMN2GAAPKM
Hydrochloric Acid SCHEMBL6941257 0.69 DAO (0.53) RAB9ADAOSMN1; SMN2GAAPKM
SCHEMBL6899153 0.68 DAO (0.60) RAB9ADAOSMN1; SMN2GAAPKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615572-B2 4,5-substituted pyrazole-3-carboxylic acids/esters/salts; D-amino acid oxidase (DAAO) inhibitors; increase D-Serine level; reduce level of toxic products of D-Serine oxidation; activate N-methyl-D-aspartate NMDA-glutamate receptors; neuropathic agent, schizophrenia, Alzheimer's, anaxia SEPRACOR INC. (US) 2009-11-10 US disclosed
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2009-07-02 US disclosed
US-7488747-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2009-02-10 US 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 (1 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-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR RAB9A 2111/4885DAO 2/4885SMN1; SMN2 640/4885

“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.