SCHEMBL16237803

SCHEMBL16237803

O=c1ccccn1-c1cccc2c1OCO2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.44
DRD2 P14416 7/20 0.40
HTR1A P08908 2/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
CYP19A1 P11511 2/20 0.38
NQO2 P16083 2/20 0.38
GSK3B P49841 1/20 0.38
HTR2A P28223 6/20 0.35
DRD3 P35462 6/20 0.35
ADRB1 P08588 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
FAAH O00519 1/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL17698872 0.74 CMA1 (0.57) PKMTSHRPOLB
SCHEMBL22397857 0.68 ADRB1 (0.54) ABCG2DRD2HTR1AHTR2ADRD3
SCHEMBL29353984 0.66
SCHEMBL8711 0.66
SCHEMBL14417491 0.66 ABCG2 (1.00) ABCG2PKMTSHRMAPK1
SCHEMBL4424499 0.66
SCHEMBL20918913 0.66 POLB (0.50) HTR1APKMTSHRGSK3BHTR2A
SCHEMBL27402320 0.66 CYP3A4 (0.47) ABCG2DRD2HTR1ACYP19A1MAPK1
SCHEMBL16104143 0.65 MGLL (0.48) CA12CA1CA2CA9CA14
SCHEMBL19817380 0.65 PTGS1 (0.49) CA12CA1CA2CA9CA14

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-9920070-B2 Spiro-oxazines, indolinones and preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-03-20 US disclosed
US-20170174706-A1 SPIRO-OXAZINES, INDOLINONES AND PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-06-22 US disclosed
US-9617280-B2 Spiro-oxazines, indolinones and preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-04-11 US disclosed
US-20160115179-A1 SPIRO-OXAZINES, INDOLINONES AND PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-04-28 US disclosed
WO-2014184808-A1 SPIRO-OXAZINES, INDOLINONES AND PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-11-20 WO 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-20170174706-A1 SPIRO-OXAZINES, INDOLINONES AND PREPARATION THEREOF NR3C2, AR, REN ABCG2 307/4885DRD2 522/4885HTR1A 1042/4885
US-20160115179-A1 SPIRO-OXAZINES, INDOLINONES AND PREPARATION THEREOF NR3C2, AR, REN ABCG2 307/4885DRD2 522/4885HTR1A 1042/4885

“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.