Sugi Predict

Sugi Predict / Compounds / SCHEMBL462839

SCHEMBL462839

SCHEMBL462839

O=C(O)c1ccc(-n2ccnn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 6/20 0.56
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ADH5 P11766 1/20 0.46
▸ CYP19A1 P11511 1/20 0.45
▸ CA12 O43570 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NR4A1 P22736 1/20 0.44
▸ NR4A2 P43354 1/20 0.44

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
SCHEMBL6827358 0.84 NOTUM (0.55) NOTUMCYP19A1KCNJ1KEAP1RAB9A
SCHEMBL460993 0.84 NOTUM (0.59) NOTUMCYP19A1KCNJ1KEAP1RAB9A
SCHEMBL18865501 0.84 KCNJ1 (0.62) NOTUMKMT2ACYP19A1TP53TSHR
SCHEMBL10447781 0.82 NOTUM (0.78) NOTUMCYP19A1KEAP1
SCHEMBL21652704 0.81 NOTUM (0.50) NOTUMKDM4EPOLBNR4A1KEAP1
SCHEMBL28631382 0.81 NOTUM (0.50) NOTUMTSHRNR4A1KEAP1
SCHEMBL6326873 0.80 NOTUM (0.50) NOTUMMEN1POLBHPGDAPEX1
SCHEMBL15520031 0.80 NOTUM (0.54) NOTUMHPGDCYP19A1TSHRRAB9A
SCHEMBL22391983 0.80 HTT (0.55) NOTUMKDM4EMEN1ALDH1A1POLB
SCHEMBL31638362 0.80 NOTUM (0.54) NOTUMCYP19A1KCNJ1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121974861-A 4- (1H-1, 2, 3-triazole-1-yl) benzoic acid compound and preparation method and application thereof 华中科技大学同济医学院附属同济医院 2026-05-05 — — CN disclosed
CN-121974861-A 4- (1H-1, 2, 3-triazole-1-yl) benzoic acid compound and preparation method and application thereof 华中科技大学同济医学院附属同济医院 2026-05-05 — — CN disclosed
EP-3623372-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH INC (US) 2026-02-04 — — EP disclosed
EP-4559902-A2 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE Imago Biosciences Inc. (US) 2025-05-28 — — EP disclosed
EP-3256218-B1 A KDM1A INHIBITOR AND ITS USE IN THERAPY IMAGO BIOSCIENCES INC (US) 2024-12-11 — — EP disclosed
US-11773068-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2023-10-03 — — US disclosed
US-11773068-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2023-10-03 — — US disclosed
US-11773068-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2023-10-03 — — US disclosed
CN-111194306-B Methods and processes for preparing KDM1A inhibitors 伊美格生物科学公司 2023-05-16 — — CN disclosed
US-20230104647-A1 METHODS AND PROCESSES FOR THE PREPARATION OF KDM1A INHIBITORS IMAGO BIOSCIENCES, INC. 2023-04-06 — — US disclosed
US-7544688-B2 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2009-06-09 — — US disclosed
CN-100400523-C Substituted piperazines, (1,4) diaza * class and 2, 5-diazabicyclo (2.2.1) heptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LTD (GB) 2008-07-09 — — CN disclosed
CN-101070309-A Substituted piperazines as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists, (1, 4) diazabi and 2, 5-diazabicyclo (2.2.1) heptanes GLAXO GROUP LTD (GB) 2007-11-14 — — CN disclosed
EP-1537111-B1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2007-05-02 — — EP disclosed
EP-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 — — EP disclosed
US-20060142575-A1 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2006-06-29 — — US disclosed
CN-1726201-A Substituted piperazines, (1,4) diaza * class and 2, 5-diazabicyclo (2.2.1) heptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LTD (GB) 2006-01-25 — — CN disclosed
EP-1537111-A1 HETEREOARYL NITRILE DERIVATIVES Novartis AG (CH) 2005-06-08 — — EP disclosed
WO-2004020441-A1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2004-03-11 — — WO disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 — — 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 (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-20230104647-A1 METHODS AND PROCESSES FOR THE PREPARATION OF KDM1A INHIBITORS KDM1A, KDM1B, KDM2A NOTUM 2548/4885MAOA 395/4885MAOB 698/4885
US-20060142575-A1 Hetereoaryl nitrile derivatives CTSK, CTSZ, CTSE NOTUM 3128/4885MAOA 1582/4885MAOB 1707/4885
US-11773068-B2 KDM1A inhibitors for the treatment of disease KDM1B, KDM1A, KDM2A NOTUM 4775/4885MAOA 3580/4885MAOB 3325/4885

“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.