SCHEMBL3707307

SCHEMBL3707307

O=C(O)c1cc(O)c([N+](=O)[O-])cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
DTYMK P23919 1/20 0.47
CDK2 P24941 2/20 0.47
ALDH1A1 P00352 3/20 0.46
GPR35 Q9HC97 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
SNCA P37840 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CASP6 P55212 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TPMT P51580 1/20 0.44
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL629699 0.92 CA1 (0.49) CA1CA2DTYMKCDK2ALDH1A1
SCHEMBL9489661 0.90 CA1 (0.50) CA1CA2DTYMKCDK2ALDH1A1
SCHEMBL9489644 0.90 CA1 (0.50) CA1CA2DTYMKCDK2ALDH1A1
SCHEMBL2722414 0.88 DTYMK (0.51) CA1CA2DTYMKCDK2ALDH1A1
SCHEMBL14298925 0.86 DTYMK (0.53) CA1CA2DTYMKCDK2ALDH1A1
SCHEMBL30309517 0.83 ALDH1A1 (0.59) CA1CA2DTYMKALDH1A1GPR35
SCHEMBL30309450 0.83 ALDH1A1 (0.59) CA1CA2DTYMKALDH1A1GPR35
SCHEMBL31229767 0.83 CDK2 (0.47) CA1CA2DTYMKCDK2ALDH1A1
SCHEMBL11835122 0.82 GPR35 (0.60) CA1CA2ALDH1A1GPR35SMN1; SMN2
SCHEMBL28405537 0.80 SNCA (0.43) CA1CA2DTYMKCDK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111377907-B Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof 杭州百新生物医药科技有限公司 2023-03-28 CN disclosed
US-20130011465-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-10 US disclosed
US-20130011465-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-10 US disclosed
US-8236983-B2 Composition and method for the treatment of diseases affected by apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-07 US disclosed
US-8236983-B2 Composition and method for the treatment of diseases affected by apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-07 US disclosed
US-7816324-B2 Composition and method for the treatment of diseases affected by a peptide receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-10-19 US disclosed
WO-2010083215-A2 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-07-22 WO disclosed
US-20100178324-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY APOPTOSIS Board of Regents, The University System (US) 2010-07-15 US disclosed
US-20100178324-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY APOPTOSIS Board of Regents, The University System (US) 2010-07-15 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-20100178324-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY APOPTOSIS BAX, BAD, BID CA1 1545/4885CA2 2825/4885DTYMK 1854/4885
US-20130011465-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY APOPTOSIS BAX, BAD, BID CA1 1545/4885CA2 2825/4885DTYMK 1854/4885

“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.