SCHEMBL348746

SCHEMBL348746

[NH]C(=O)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
KMT2A Q03164 4/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
MEN1 O00255 2/20 0.57
TSHR P16473 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.56
ALOX12 P18054 2/20 0.56
HPGD P15428 1/20 0.56
EPHX1 P07099 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA4 P43681 1/20 0.55
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL9781823 0.84 TP53 (0.66) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL81511 0.82 CYP2C19 (0.64) GAAKMT2ACYP2D6CYP2C19MEN1
SCHEMBL714625 0.81 EPHX1 (0.77) GAAKMT2ACYP2D6CYP2C19MEN1
SCHEMBL27866 0.81 CYP2D6 (0.80) GAAKMT2ACYP2D6CYP2C19MEN1
SCHEMBL3056874 0.81 KMT2A (0.71) GAAKMT2ACYP2D6CYP2C19MEN1
Hydrochloric Acid SCHEMBL17710406 0.80 CYP2C19 (0.62) GAAKMT2ACYP2D6CYP2C19MEN1
Ammonia Solution, Strong SCHEMBL5961420 0.80 CYP2C19 (0.62) GAAKMT2ACYP2D6CYP2C19MEN1
Urea SCHEMBL11221937 0.80 CYP2C19 (0.62) GAAKMT2ACYP2D6CYP2C19MEN1
Benzene SCHEMBL3802036 0.80 CYP2C19 (0.62) GAAKMT2ACYP2D6CYP2C19MEN1
Bromide SCHEMBL21847280 0.79 CYP2D6 (0.77) GAAKMT2ACYP2D6CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US claimed
EP-3558975-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO claimed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 US claimed
EP-1979342-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jerini AG (DE) 2008-10-15 EP claimed
WO-2007088041-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-08-09 WO claimed
US-6593344-B1 These substances have especially high cytostatic activities and pronounced immunosuppressive properties which make them suitable for therapeutic treatment in broad tumor spectrum and autoimmune diseases KLINGE PHARMA GMBH (DE) 2003-07-15 US claimed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US claimed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP claimed
EP-1044197-A2 NEW PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES Klinge Pharma GmbH (DE) 2000-10-18 EP claimed
WO-1999031060-A2 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES AS CYTOSTATICS AND IMMUNESUPPRESSANTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
US-5565469-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1996-10-15 US claimed
US-5395818-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-03-07 US claimed
US-5294596-A Compounds for killing weeds BAYER AKTIENGESELLSCHAFT (DE) 1994-03-15 US claimed
EP-0581133-A2 1-Heterocyclo-substituted 1,2,3-(1H)-triazolin-5-ones as herbicides BAYER AG (DE) 1994-02-02 EP claimed
EP-0578089-A1 Heterocyclic substituted traizolinones, method of preparation and use as herbicides BAYER AG (DE) 1994-01-12 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS GAA 985/4885KMT2A 2086/4885CYP2D6 35/4885
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES DDT, HPD, PAH GAA 465/4885KMT2A 2550/4885CYP2D6 27/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE GAA 277/4885KMT2A 1482/4885CYP2D6 1727/4885
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGA1, ITGB1, ITGA5 GAA 3415/4885KMT2A 3752/4885CYP2D6 3552/4885

“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.