SCHEMBL276035

SCHEMBL276035

[O]c1cc2ccccc2nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
GLA P06280 2/20 0.50
ACHE P22303 1/20 0.50
NQO2 P16083 1/20 0.42
GPR3 P46089 1/20 0.40
CYP1A2 P05177 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MGAM O43451 1/20 0.38
PDPK1 O15530 1/20 0.38
GAA P10253 3/20 0.38
HTR3A P46098 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
STAT3 P40763 1/20 0.38
IKBKB O14920 1/20 0.37
PDE2A O00408 1/20 0.37
PDE3B Q13370 1/20 0.37

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
SCHEMBL31115164 0.75 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EHPGDGLA
SCHEMBL5483645 0.75 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EHPGDGLA
SCHEMBL30248459 0.73 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EHPGDGLA
SCHEMBL11173734 0.73 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EHPGDGLA
SCHEMBL2014207 0.71 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EHPGDGLA
SCHEMBL5245198 0.71 KDM4E (0.55) ALDH1A1MAPTKDM4EHPGDGLA
SCHEMBL241706 0.71 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EHPGDGLA
Hydrochloric Acid SCHEMBL21979894 0.71 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EHPGDGLA
SCHEMBL2617034 0.71 KDM4E (0.55) ALDH1A1MAPTKDM4EHPGDGLA
SCHEMBL2014209 0.71 KDM4E (0.50) ALDH1A1MAPTKDM4EHPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4371979-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2024-05-22 EP disclosed
EP-4366733-A1 TETRAHYDROPYRAZOLOPYRIDINE-ANALOG LIGANDS OF NLRX1 AND USES THEREOF LANDOS BIOPHARMA, INC. (US) 2024-05-15 EP disclosed
CN-117693500-A Carboxamide derivative and agricultural/horticultural plant disease control agent 组合化学工业株式会社 2024-03-12 CN disclosed
EP-3927427-B1 LANTHIONINE C-LIKE PROTEIN 2 LIGANDS, CELLS PREPARED THEREWITH, AND THERAPIES USING SAME NIMMUNE BIOPHARMA INC (US) 2024-02-07 EP disclosed
US-20230357744-A1 ENGINEERED TRYPTOPHAN DECARBOXYLASES AND USES THEREOF FOR SYNTHESIZING TRYPTAMINE ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-11-09 US disclosed
EP-4225315-A2 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING INFLAMMATORY OR IMMUNE-MEDIATED CONDITIONS OF SURFACE TISSUES Nimmune Biopharma, Inc. (US) 2023-08-16 EP disclosed
EP-4214200-A1 LANCL LIGANDS Nimmune Biopharma, Inc. (US) 2023-07-26 EP disclosed
WO-2023132369-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT 中外製薬株式会社 2023-07-13 WO disclosed
US-20230192652-A1 PLXDC2 LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-06-22 US disclosed
EP-4196475-A1 NLRX1 LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-06-21 EP disclosed
EP-1445115-A1 IMIDE COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-08-11 EP disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
US-6627288-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS, INC. (JP) 2003-09-30 US disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
EP-0973767-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS Dupont Pharmaceuticals Company (US) 2000-01-26 EP disclosed
WO-1998043969-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY (US) 1998-10-08 WO disclosed
EP-0483851-B1 Pyrazolyl acrylic acid derivatives, intermediates thereto, and agricultural/horticultural fungicides containing said derivatives MITSUBISHI CHEM CORP (JP) 1996-03-13 EP disclosed
US-5128350-A PYRAZOLYL ACRYLIC ACID DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING SAID DERIVATIVES MITSUBISHI KASEI CORPORATION (JP) 1992-07-07 US disclosed
EP-0483851-A1 Pyrazolyl acrylic acid derivatives, intermediates thereto, and agricultural/horticultural fungicides containing said derivatives Mitsubishi Chemical Corporation (JP) 1992-05-06 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 (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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 ALDH1A1 112/4885MAPT 3970/4885KDM4E 1550/4885
US-20230192652-A1 PLXDC2 LIGANDS PLP2, PDCD1LG2, LCP2 ALDH1A1 3872/4885MAPT 300/4885KDM4E 3914/4885

“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.