Sugi Predict

Sugi Predict / Compounds / SCHEMBL1573387

SCHEMBL1573387

SCHEMBL1573387

O=[N+]([O-])c1cccc2c1CC=C2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.45
▸ GPR35 Q9HC97 2/20 0.44
▸ TSHR P16473 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ S100A4 P26447 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36

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
SCHEMBL28369479 0.82 TDP1 (0.42) TDP1GPR35TSHRLMNAALDH1A1
SCHEMBL5179696 0.82 TDP1 (0.46) TDP1GPR35TSHRLMNAALDH1A1
SCHEMBL1697397 0.81 ALDH1A1 (0.45) TDP1TSHRALDH1A1KMT2AMEN1
SCHEMBL12289313 0.76 S100A4 (0.42) TDP1GPR35TSHRLMNAALDH1A1
SCHEMBL18720465 0.74 ALDH1A1 (0.39) TDP1LMNAALDH1A1SMN1; SMN2S100A4
SCHEMBL9287738 0.74 TDP1 (0.41) TDP1GPR35TSHRLMNAALDH1A1
SCHEMBL276578 0.71 SLC6A2 (0.35) —
SCHEMBL7469716 0.70 TDP1 (0.45) TDP1GPR35TSHRLMNAALDH1A1
SCHEMBL11817643 0.70 TDP1 (0.45) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL29809212 0.70 TDP1 (0.41) TDP1GPR35TSHRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 — — US disclosed
US-20230150974-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 — — US disclosed
EP-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 — — EP disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 — — US disclosed
EP-2048132-B1 Tetrahydro-naphthalene and urea derivatives XENTION LTD (GB) 2011-04-13 — — EP disclosed
EP-2048132-B1 Tetrahydro-naphthalene and urea derivatives XENTION LTD (GB) 2011-04-13 — — EP disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 — — US disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 — — WO disclosed
US-7615557-B2 Tetrahydro-naphthalene and urea derivatives XENTION LIMITED (GB) 2009-11-10 — — US disclosed
US-7615557-B2 Tetrahydro-naphthalene and urea derivatives XENTION LIMITED (GB) 2009-11-10 — — US disclosed
EP-1670761-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES Bayer HealthCare AG (DE) 2006-06-21 — — EP disclosed
WO-2005040100-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-05-06 — — WO disclosed
WO-2005040119-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-05-06 — — WO disclosed
EP-0923543-B1 POTASSIUM CHANNEL INHIBITORS ICAGEN INC (US) 2003-09-24 — — EP disclosed
US-6083986-A Potassium channel inhibitors ICAGEN, INC. (US) 2000-07-04 — — US disclosed
EP-0923543-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 1999-06-23 — — EP disclosed
WO-1998004521-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1998-02-05 — — WO disclosed
US-4442296-A LARVICIDES FMC CORPORATION (US) 1984-04-10 — — US disclosed
US-4408057-A 4-Heterocyclic-substituted-2-indanyl alcohols and insecticidal ester derivatives FMC CORPORATION (US) 1983-10-04 — — US disclosed
US-4368205-A 4-Heterocyclic-substituted-2-indanyl alcohols and insecticidal ester derivatives FMC CORPORATION (US) 1983-01-11 — — 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 (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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 TDP1 4731/4885GPR35 76/4885TSHR 770/4885
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDKL5, CDK15, CDK5 TDP1 195/4885GPR35 580/4885TSHR 3269/4885
US-20230150974-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB TDP1 725/4885GPR35 4281/4885TSHR 4351/4885

“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.