SCHEMBL3601103

SCHEMBL3601103

O=C=NCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
SIGMAR1 Q99720 11/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
IDO1 P14902 2/20 0.44
IGF1R P08069 1/20 0.43
ALOX15 P16050 1/20 0.43
MIF P14174 1/20 0.42
CYP1A2 P05177 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
PYGL P06737 1/20 0.41
PYCR1 P32322 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL139341 0.81 MAPK1 (0.47) PNMTTAAR1SIGMAR1MAPK1TDP1
SCHEMBL30387398 0.81 MAPK1 (0.47) PNMTTAAR1SIGMAR1MAPK1TDP1
SCHEMBL331135 0.80 MIF (0.48) MIFTSHR
SCHEMBL1846505 0.79 MIF (0.66) TAAR1IDO1MIFALDH1A1
SCHEMBL29542006 0.78 HTR3E (0.54) PNMTTAAR1IDO1MIFMEN1
SCHEMBL1851734 0.78 HTR3E (0.54) PNMTTAAR1IDO1MIFMEN1
SCHEMBL7414073 0.76 PNMT (0.57) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL6804290 0.76 MIF (0.50) TAAR1MIFCYP1A2MEN1KMT2A
SCHEMBL12305277 0.76 MIF (0.38) MIF
SCHEMBL29077870 0.75 MIF (0.37) MIFTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
EP-4298140-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-01-03 EP disclosed
US-20220363809-A1 POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2022-11-17 US disclosed
WO-2022179939-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2022-09-01 WO disclosed
CN-109280030-B Benzazaylalkyl aryl piperazine derivative and application thereof in preparing medicines 江苏恩华药业股份有限公司 2022-04-22 CN disclosed
US-11289238-B2 Compositions for the filling of high aspect ratio vertical interconnect access (VIA) holes HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC (US) 2022-03-29 US disclosed
EP-3107946-A1 A POLYISO-UREA BASF SE (DE) 2016-12-28 EP disclosed
EP-3107945-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2016-12-28 EP disclosed
WO-2015127038-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2015-08-27 WO disclosed
WO-2015127041-A1 A POLYISO-UREA BASF SE (DE) 2015-08-27 WO disclosed
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 US disclosed
EP-2111443-A2 BENEFIT AGENT DELIVERY COMPOSITIONS The Procter and Gamble Company (US) 2009-10-28 EP disclosed
US-20080200363-A1 Perfumes, brighteners, insect repellants, flavors, vitamins, fabric softeners, skin care agents; increasing potency, reducing cost PROECTER & GAMBLE COMPANY, THE 2008-08-21 US disclosed
WO-2008100601-A2 BENEFIT AGENT DELIVERY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2008-08-21 WO disclosed
US-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed
US-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 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-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ROCK1, ROCK2, RHOA PNMT 2634/4885TAAR1 3725/4885SIGMAR1 2460/4885

“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.