SCHEMBL10876009

SCHEMBL10876009

CN(C)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
GPR35 Q9HC97 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 3/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 2/20 0.52
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
ERN1 O75460 1/20 0.47
HTT P42858 2/20 0.46
HCAR3 P49019 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 2/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL8176237 0.85 ALDH1A1 (0.58) ALDH1A1GPR35L3MBTL1TSHRTP53
Methane SCHEMBL28281859 0.84 ALDH1A1 (0.57) ALDH1A1GPR35L3MBTL1TSHRTP53
SCHEMBL11819145 0.82 ALDH1A1 (0.64) ALDH1A1L3MBTL1TSHRTP53MAPK1
SCHEMBL9805745 0.80 ALDH1A1 (0.50) ALDH1A1GPR35L3MBTL1TSHRTP53
SCHEMBL28462224 0.80 ALDH1A1 (0.53) ALDH1A1GPR35L3MBTL1TSHRTP53
SCHEMBL1678369 0.80 GPR35 (0.50) ALDH1A1GPR35L3MBTL1TSHRTP53
SCHEMBL7808225 0.79 ALDH1A1 (0.60) ALDH1A1GPR35L3MBTL1TSHRTP53
SCHEMBL792021 0.79 ALDH1A1 (0.62) ALDH1A1L3MBTL1TSHRTP53SMN1; SMN2
SCHEMBL28566572 0.79 ALDH1A1 (0.49) ALDH1A1GPR35L3MBTL1TSHRTP53
SCHEMBL4802337 0.78 HSD17B10 (0.60) ALDH1A1TSHRTP53SMN1; SMN2HTT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023234187-A1 METHOD FOR PRODUCING ORGANIC COPPER COMPOUND シンクレスト株式会社 2023-12-07 WO disclosed
WO-2023120645-A1 ORGANIC ZINC COMPOUND AND PRODUCTION METHOD FOR ORGANIC ZINC COMPOUND シンクレスト株式会社 2023-06-29 WO disclosed
WO-2023120647-A1 ORGANIC COPPER COMPOUND, AND METHOD FOR PRODUCING ORGANIC COPPER COMPOUND シンクレスト株式会社 2023-06-29 WO disclosed
US-10294218-B2 4,6-disubstituted aminopyrimidine derivatives have anti-HIV activity VIROSTATICS SRL (IT) 2019-05-21 US disclosed
CN-104822380-B The novel disubstituted aminopyridine derivative of 4,6- 维罗斯塔蒂克斯公司 2019-01-01 CN disclosed
EP-2887943-B1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES VIROSTATICS SRL (IT) 2017-12-06 EP disclosed
EP-2887943-B1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES VIROSTATICS SRL (IT) 2017-12-06 EP disclosed
US-20170204084-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVE ANTI-HIV ACTIVITY VIROSTATICS SRL (IT) 2017-07-20 US disclosed
US-20170204084-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVE ANTI-HIV ACTIVITY VIROSTATICS SRL (IT) 2017-07-20 US disclosed
US-9617225-B2 4,6-disubstituted aminopyrimidine derivatives have anti-HIV activity VIROSTATICS SRL (IT) 2017-04-11 US disclosed
US-9329475-B2 Positive photosensitive resin composition, photosensitive resin film prepared by using the same, and display device CHEIL INDUSTRIES INC. (KR) 2016-05-03 US disclosed
CN-104822380-A Novel 4,6-disubstituted aminopyrimidine derivatives VIROSTATICS SRL 2015-08-05 CN disclosed
EP-2887943-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES Virostatics Srl (IT) 2015-07-01 EP disclosed
US-20150111153-A1 Positive Photosensitive Resin Composition, Photosensitive Resin Film Prepared by Using the Same, and Display Device CHEIL INDUSTRIES INC. (KR) 2015-04-23 US disclosed
US-20140057911-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS VIROSTATICS SRL (IT) 2014-02-27 US disclosed
WO-2014031937-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES VIROSTATICS SRL (IT) 2014-02-27 WO disclosed
US-20140057911-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS VIROSTATICS SRL (IT) 2014-02-27 US disclosed
EP-0100920-B1 PHOTOSENSITIVE COMPOSITION AND PATTERN FORMING PROCESS USING SAME HITACHI, LTD. (JP) 1986-07-16 EP disclosed
US-4510226-A Photosensitive composition and pattern forming process using same HITACHI, LTD. (JP) 1985-04-09 US disclosed
EP-0100920-A1 Photosensitive composition and pattern forming process using same HITACHI, LTD. (JP) 1984-02-22 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 (3 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-10294218-B2 4,6-disubstituted aminopyrimidine derivatives have anti-HIV activity DUT, UMPS, DPYD ALDH1A1 872/4885GPR35 3857/4885L3MBTL1 1311/4885
US-20140057911-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS DPYD, ABL1, BRD4 ALDH1A1 507/4885GPR35 3496/4885L3MBTL1 1612/4885
US-20170204084-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVE ANTI-HIV ACTIVITY UMPS, DPYD, DUT ALDH1A1 942/4885GPR35 3858/4885L3MBTL1 1683/4885

“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.