SCHEMBL231470

SCHEMBL231470

c1ccc(CCCc2ccccn2)nc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.69
HRH3 Q9Y5N1 3/20 0.61
HRH4 Q9H3N8 2/20 0.61
CYP1A2 P05177 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CYP2C19 P33261 2/20 0.58
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
ALOX15 P16050 1/20 0.57
NAAA Q02083 1/20 0.56
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.52
LIN28A Q9H9Z2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSD17B10 Q99714 1/20 0.50
CHRM2 P08172 1/20 0.50

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
SCHEMBL29485637 1.00 HRH1 (0.69) HRH1HRH3HRH4CYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL841530 0.97 HRH1 (0.67) HRH1HRH3HRH4CYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL29638137 0.97 HRH1 (0.67) HRH1HRH3HRH4CYP1A2SMN1; SMN2
SCHEMBL5961501 0.97 HRH1 (0.67) HRH1HRH3HRH4CYP1A2SMN1; SMN2
Bromide SCHEMBL11413053 0.95 HRH1 (0.64) HRH1HRH3HRH4CYP1A2SMN1; SMN2
SCHEMBL726512 0.95 HRH1 (0.76) HRH1HRH3HRH4CYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL5827595 0.92 HRH1 (0.73) HRH1HRH3HRH4CYP1A2SMN1; SMN2
SCHEMBL31040594 0.92 HRH1 (0.80) HRH1HRH3HRH4CYP1A2SMN1; SMN2
SCHEMBL4418086 0.92 HRH1 (0.80) HRH1HRH3HRH4CYP1A2SMN1; SMN2
SCHEMBL2843489 0.92 HRH1 (0.80) HRH1HRH3HRH4CYP1A2SMN1; 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 141 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872585-A1 COMPOSITIONS AND METHODS FOR SELECTIVE POLISHING OF SILICON NITRIDE MATERIALS Cabot Microelectronics Corporation (US) 2015-05-20 EP claimed
EP-2751121-A1 POROUS MATERIALS CONTAINING BUILT-IN SINGLE MOLECULE TRAPS FOR SMALL MOLECULE CAPTURE The Texas A&M University System (US) 2014-07-09 EP claimed
CN-103827123-A Porous materials containing built-in single molecule traps for small molecule capture TEXAS A & M UNIV SYS 2014-05-28 CN claimed
WO-2014011678-A1 COMPOSITIONS AND METHODS FOR SELECTIVE POLISHING OF SILICON NITRIDE MATERIALS CABOT MICROELECTRONICS CORPORATION (US) 2014-01-16 WO claimed
EP-1570014-B1 POLYSILAZANE-CONTAINING COATING SOLUTION AZ ELECTRONIC MATERIALS USA (US) 2013-03-13 EP claimed
WO-2013029830-A1 POROUS MATERIALS CONTAINING BUILT-IN SINGLE MOLECULE TRAPS FOR SMALL MOLECULE CAPTURE THE TEXAS A&M UNIVERSITY SYSTEM (US) 2013-03-07 WO claimed
US-8182718-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2012-05-22 US claimed
US-20090215762-A1 Siloxane polymer containing tethered levofloxacin NDSU RESEARCH FOUNDATION 2009-08-27 US claimed
EP-1085012-B1 PROCESS FOR PRODUCING A PURIFIED PROSTAGLANDIN DERIVATIVE ASAHI GLASS CO LTD (JP) 2008-10-29 EP claimed
US-5962328-A NONTOXIC SOLVENT, FEWER SIDE REACTIONS; USED IN ACCURATELY DETERMINING WATER CONTENT OF KETONES MITSUBISHI CHEMICAL CORPORATION (JP) 1999-10-05 US claimed
US-4720464-A Electrolytes for Karl Fischer coulometric titration MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1988-01-19 US claimed
CN-115484927-B Method for producing hydrophilic organopolysiloxane gels 瓦克化学股份公司 2024-08-20 CN disclosed
US-20240263010-A1 Silicone Rubber Composition Having Excellent Fireproof Performance KCC SILICONE CORPORATION (KR) 2024-08-08 US disclosed
EP-4342947-A1 SILICONE RUBBER COMPOSITION HAVING EXCELLENT FIREPROOF PERFORMANCE KCC Silicone Corporation (KR) 2024-03-27 EP disclosed
US-11884865-B2 Liquid crystal emulsification method and liquid crystal emulsion WACKER CHEMIE AG (DE) 2024-01-30 US disclosed
EP-0415204-A2 Functional anhydride groups containing organo(poly)siloxanes, process for their preparation and their use WACKER-CHEMIE GMBH (DE) 1991-03-06 EP disclosed
EP-0396130-A2 Alkenyloxy-functional organosilicon compounds, their preparation and use WACKER-CHEMIE GMBH (DE) 1990-11-07 EP disclosed
US-4802957-A PYRIDINE DERIVATIVE, IMIDAZOLE OR DERIVATIVE AS AMINE MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1989-02-07 US disclosed
US-4720464-A Electrolytes for Karl Fischer coulometric titration MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1988-01-19 US disclosed
US-4575538-A REACTION PRODUCT OF RARE EARTH HALIDE AND LEWIS BASE AS CATALYST PHILLIPS PETROLEUM COMPANY (US) 1986-03-11 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 (1 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-20090215762-A1 Siloxane polymer containing tethered levofloxacin PUF60, QARS1, SEPTIN7 HRH1 4094/4885HRH3 4247/4885HRH4 4328/4885

“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.