SCHEMBL429269

SCHEMBL429269

COc1c[c]ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TDP1 Q9NUW8 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SIRT6 Q8N6T7 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40

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
SCHEMBL317481 0.87 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1LMNAKDM4E
SCHEMBL5001817 0.82 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1LMNAKDM4E
SCHEMBL16974722 0.82 PDK1 (0.47) ALDH1A1TDP1L3MBTL1LMNAMAPT
SCHEMBL16959991 0.82 NPC1 (0.50) ALDH1A1TDP1LMNAKDM4EMAPT
SCHEMBL2882305 0.81 ALDH1A1 (0.39) ALDH1A1TDP1L3MBTL1LMNAMAPT
SCHEMBL10813870 0.80 ALDH1A1 (0.37) ALDH1A1TDP1L3MBTL1CYP3A4ALOX15
SCHEMBL21268382 0.80 NPC1 (0.47) ALDH1A1TDP1L3MBTL1LMNAMAPT
SCHEMBL11686983 0.79 NPC1 (0.46) ALDH1A1L3MBTL1LMNAMAPTNPC1
SCHEMBL11876850 0.78 ALDH1A1 (0.33) ALDH1A1TDP1L3MBTL1HTT
SCHEMBL57882 0.77 TSHR (0.40) ALDH1A1TDP1MAPTCYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US claimed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 EP claimed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US claimed
EP-0672663-B1 Herbicidal tetrazolinones BAYER AGROCHEM KK (JP) 2000-07-12 EP claimed
US-5300672-A For water systems, plant diseases ROHM AND HAAS COMPANY (US) 1994-04-05 US claimed
EP-0440329-A1 S-substituted carbonyl substituted betathioacrylamide biocides and fungicides ROHM AND HAAS COMPANY (US) 1991-08-07 EP claimed
EP-0128462-B1 NOVEL BENZOTHIAZEPINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS Tanabe Seiyaku Co., Ltd. (JP) 1989-03-22 EP claimed
EP-0119892-B1 HYDROXYL AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS GROWTH FACTORS FOR VEGETABLES AND COMPOSITIONS THEREOF ROUSSEL-UCLAF (FR) 1986-08-13 EP claimed
US-4521430-A VASODILATOR, ANTIISCHEMIC AGENT TANABE SEIYAKU CO., LTD. (JP) 1985-06-04 US claimed
EP-0128462-A1 Novel benzothiazepine derivatives, processes for preparing the same and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1984-12-19 EP claimed
EP-0119892-A1 Hydroxyl amine derivatives, their preparation, their use as growth factors for vegetables and compositions thereof ROUSSEL-UCLAF (FR) 1984-09-26 EP claimed
EP-4384510-A1 COMPOUNDS TARGETING MUTANT OF P53 Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-06-19 EP disclosed
WO-2024120471-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-06-13 WO disclosed
WO-2024094150-A1 NLRP3 INFLAMMASOME INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-05-10 WO disclosed
CN-117986235-A P53-Y220C selective small molecule reactivation agent compound, pharmaceutical composition and application thereof 长春金赛药业有限责任公司 2024-05-07 CN disclosed
US-4640929-A Insecticidally, acaricidally, and nematocidally 2-amino-1,3-dithiane derivatives and pesticidal compositions therefor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-02-03 US disclosed
US-4521430-A VASODILATOR, ANTIISCHEMIC AGENT TANABE SEIYAKU CO., LTD. (JP) 1985-06-04 US disclosed
EP-0128462-A1 Novel benzothiazepine derivatives, processes for preparing the same and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1984-12-19 EP disclosed
EP-0102062-A2 1,3-Dithianes, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-03-07 EP disclosed
US-3955959-A INHIBITING WEEDS MONSANTO COMPANY (US) 1976-05-11 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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 ALDH1A1 253/4885TDP1 1738/4885L3MBTL1 2164/4885
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 ALDH1A1 675/4885TDP1 561/4885L3MBTL1 4133/4885

“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.