SCHEMBL3761927

SCHEMBL3761927

CCc1cc(OC)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
SLC6A4 P31645 6/20 0.50
HTR2A P28223 5/20 0.50
KCNH2 Q12809 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
IDO1 P14902 2/20 0.43
ADRA1A P35348 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CTSD P07339 1/20 0.43
HTR1A P08908 1/20 0.42
P4HB P07237 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL7669098 0.86 SLC6A4 (0.46) L3MBTL1SLC6A4HTR2AKCNH2ALDH1A1
SCHEMBL8340513 0.83 SLC6A4 (0.47) SLC6A4HTR2AKCNH2KDM4EALDH1A1
SCHEMBL9144848 0.83 ALDH1A1 (0.53) SLC6A4HTR2AKCNH2KDM4EALDH1A1
SCHEMBL24252449 0.82 SLC6A4 (0.46) SLC6A4HTR2AKCNH2KDM4EALDH1A1
SCHEMBL12126681 0.82 L3MBTL1 (0.61) L3MBTL1SLC6A4HTR2AKCNH2KDM4E
Ammonia Solution, Strong SCHEMBL27347505 0.82 SLC6A4 (0.46) SLC6A4HTR2AKCNH2KDM4EALDH1A1
SCHEMBL474102 0.82 HTR2A (0.46) SLC6A4HTR2AKCNH2ALDH1A1TDP1
SCHEMBL772819 0.82 ADRA1A (0.50) SLC6A4HTR2AKCNH2TDP1IDO1
SCHEMBL7669104 0.82 ALDH1A1 (0.54) SLC6A4HTR2AKCNH2KDM4EALDH1A1
SCHEMBL3761925 0.82 L3MBTL1 (0.53) L3MBTL1SLC6A4HTR2AKCNH2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3641776-B1 ATROPISOMERISM FOR ENHANCED KINASE INHIBITOR SELECTIVITY SAN DIEGO STATE UNIV RESEARCH FOUNDATION (US) 2023-10-18 EP disclosed
US-20200288710-A1 SUBSTITUTED SULPHONAMIDES FOR CONTROLLING ANIMAL PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-09-17 US disclosed
EP-2794611-B1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2017-10-11 EP disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2500345-B1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2015-01-28 EP disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 US disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 US disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
US-7279484-B2 Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease AJINOMOTO CO., INC. (JP) 2007-10-09 US disclosed
US-7279484-B2 Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease AJINOMOTO CO., INC. (JP) 2007-10-09 US disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO 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 (6 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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE L3MBTL1 4109/4885SLC6A4 116/4885HTR2A 983/4885
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES PDE2A, PDE5A, PDE3A L3MBTL1 3678/4885SLC6A4 1195/4885HTR2A 348/4885
US-20200288710-A1 SUBSTITUTED SULPHONAMIDES FOR CONTROLLING ANIMAL PESTS DDT, MPST, STOM L3MBTL1 288/4885SLC6A4 1186/4885HTR2A 3919/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 L3MBTL1 4693/4885SLC6A4 2876/4885HTR2A 1692/4885
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases PDE2A, PDE5A, PDE12 L3MBTL1 4270/4885SLC6A4 1775/4885HTR2A 134/4885
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT L3MBTL1 1100/4885SLC6A4 4503/4885HTR2A 4672/4885

“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.