SCHEMBL939417

SCHEMBL939417

Nc1nc2ccccc2n1Cc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.79
▸ NOD2 Q9HC29 2/20 0.79
▸ NOD1 Q9Y239 2/20 0.79
▸ CXCL8 P10145 1/20 0.79
▸ SOS1 Q07889 1/20 0.79
▸ KMT2A Q03164 2/20 0.70
▸ HTT P42858 3/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ CXCR4 P61073 1/20 0.64
▸ ALDH1A1 P00352 4/20 0.63
▸ LMNA P02545 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ PDE6D O43924 1/20 0.63
▸ ALDH2 P05091 1/20 0.63
▸ ALDH3A1 P30838 1/20 0.63
▸ POLB P06746 2/20 0.62
▸ CSF1R P07333 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.57
▸ MAPT P10636 1/20 0.57

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
SCHEMBL7165480 0.95 TNF (0.87) TNFNOD2NOD1CXCL8SOS1
SCHEMBL7168102 0.90 KMT2A (0.71) TNFNOD2NOD1CXCL8SOS1
SCHEMBL7337702 0.88 NOD1 (1.00) TNFNOD2NOD1CXCL8SOS1
SCHEMBL7530572 0.88 TNF (0.72) TNFNOD2NOD1CXCL8SOS1
SCHEMBL9630558 0.87 TNF (0.75) TNFNOD2NOD1CXCL8SOS1
SCHEMBL23361962 0.85 KMT2A (0.66) TNFNOD2NOD1CXCL8SOS1
Hydrochloric Acid SCHEMBL11594488 0.85 TNF (0.73) TNFNOD2NOD1CXCL8SOS1
SCHEMBL23362176 0.84 TNF (0.62) TNFNOD2NOD1CXCL8SOS1
SCHEMBL16512786 0.84 KMT2A (0.64) TNFNOD2NOD1CXCL8SOS1
SCHEMBL11715808 0.84 CXCR4 (0.72) TNFNOD2NOD1CXCL8SOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907733-A High-corrosion-resistance magnesium-aluminum alloy chromium-free fingerprint-resistant coating liquid and preparation method thereof 安徽未来表面技术有限公司 2022-08-16 — — CN claimed
US-8153385-B2 Target protein and target gene in drug designing and screening method REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-04-10 — — US claimed
US-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2010-06-03 — — US claimed
CN-114907733-A High-corrosion-resistance magnesium-aluminum alloy chromium-free fingerprint-resistant coating liquid and preparation method thereof 安徽未来表面技术有限公司 2022-08-16 — — CN disclosed
EP-3467930-B1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2020-05-13 — — EP disclosed
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 — — US disclosed
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 — — US disclosed
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 — — EP disclosed
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 — — EP disclosed
US-9789111-B2 Casein kinase 1δ (CK 1δ) inhibitors ELECTROPHORETICS LIMITED (GB) 2017-10-17 — — US disclosed
US-9789111-B2 Casein kinase 1δ (CK 1δ) inhibitors ELECTROPHORETICS LIMITED (GB) 2017-10-17 — — US disclosed
US-20070066606-A1 Benzylbenzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 — — US disclosed
US-20050228022-A1 blocking voltage-sensitive sodium channels of neurons in a mammal comprising administering 1-benzyl-2-imino-3-(2-hydroxy-3-phenoxypropyl)benzimidazole; analgesics; neuroprotectants; anticonvulsants TAKTIX CORPORATION (US) 2005-10-13 — — US disclosed
US-20040242627-A1 2-Iminoimidazole derivatives (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-02 — — US disclosed
EP-1394152-A1 2-IMINOIMIDAZOLE DERIVATIVES (1) Eisai Co., Ltd. (JP) 2004-03-03 — — EP disclosed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 — — US disclosed
US-5283243-A Anti-inflammatory, anti-allergic, hypotensive and vasodilating agents KALI-CHEMIE PHARMA GMBH (DE) 1994-02-01 — — US disclosed
EP-0488009-A2 Piperidinoalkyl-benzoxazine-and-thiazine-compounds, processes for their preparation and drugs containing them Kali-Chemie Pharma GmbH (DE) 1992-06-03 — — EP disclosed
US-4593105-A REACTING ARYLDIAMINE WITH THIOCYANATE UNIROYAL CHEMICAL COMPANY, INC. (US) 1986-06-03 — — US disclosed
US-4083843-A YELLOW DYE FOR NYLON, POLYACRYLONITRILE, WOOL AND SILK E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-04-11 — — 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 (5 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-20070066606-A1 Benzylbenzimidazolyl derivatives TIE1, KDR, FLT1 TNF 3815/4885NOD2 2687/4885NOD1 2218/4885
US-20040242627-A1 2-Iminoimidazole derivatives (1) H1-2, H1-0, H1-3 TNF 4506/4885NOD2 1887/4885NOD1 904/4885
US-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD CHP1, CMA1, CARHSP1 TNF 4125/4885NOD2 1404/4885NOD1 2636/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 TNF 652/4885NOD2 12/4885NOD1 13/4885
US-20050228022-A1 blocking voltage-sensitive sodium channels of neurons in a mammal comprising administering 1-benzyl-2-imino-3-(2-hydroxy-3-phenoxypropyl)benzimidazole; analgesics; neuroprotectants; anticonvulsants CACNA1E, CACNA1B, SCN1A TNF 2979/4885NOD2 2875/4885NOD1 1184/4885

“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.

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