SCHEMBL20095262

SCHEMBL20095262

CNc1cc2ccc(OCCN(C)C)cc2oc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.51
MAOA P21397 9/20 0.51
SIGMAR1 Q99720 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 1/20 0.46
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA6 P23280 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA5B Q9Y2D0 2/20 0.45

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
SCHEMBL18474356 0.86 CA12 (0.62) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL20095261 0.82 MAOB (0.49) MAOBMAOASIGMAR1KDM4EALDH1A1
SCHEMBL28973490 0.79 CA12 (0.71) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL18469631 0.77 MAOB (0.45) MAOBMAOASIGMAR1KDM4EALDH1A1
SCHEMBL1794305 0.74 BCHE (0.63) MAOBSIGMAR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11561758 0.73 ACHE (0.62) MAOBSIGMAR1KDM4EALDH1A1
SCHEMBL31377049 0.72 CA12 (0.74) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL1795824 0.72 SIGMAR1 (0.64) SIGMAR1
Hydrochloric Acid SCHEMBL16780997 0.70 SIGMAR1 (0.63) SIGMAR1
Hydrochloric Acid SCHEMBL3883466 0.70 SIGMAR1 (0.63) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179175-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-01-15 US disclosed
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2018-04-26 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 (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-10179175-B2 Isatoic anhydride derivatives and applications thereof AASDHPPT, CA13, CA12 MAOB 1197/4885MAOA 462/4885SIGMAR1 4041/4885
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 MAOB 1197/4885MAOA 462/4885SIGMAR1 4041/4885

“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.