SCHEMBL1385783

SCHEMBL1385783

[NH]C(=O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
MAPT P10636 3/20 0.56
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 1/20 0.56
FABP3 P05413 1/20 0.55
FABP4 P15090 1/20 0.55
FABP5 Q01469 1/20 0.55
KDM4E B2RXH2 2/20 0.54
ATM Q13315 1/20 0.54
SOAT1 P35610 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KCNQ2 O43526 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL34420050 0.85 CA12 (0.64) ALDH1A1MEN1KMT2ACYP2C9HPGD
SCHEMBL18415557 0.85 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACYP2C9HPGD
SCHEMBL265014 0.85 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACYP2C9HPGD
Hydrochloric Acid SCHEMBL5883332 0.83 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACYP2C9HPGD
SCHEMBL4082544 0.83 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACYP2C9HPGD
SCHEMBL1567980 0.83 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACYP2C9HPGD
Hydrochloric Acid SCHEMBL380091 0.83 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACYP2C9HPGD
SCHEMBL99181 0.82 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ACYP2C9HPGD
SCHEMBL15124833 0.82 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ACYP2C9HPGD
SCHEMBL15124835 0.82 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ACYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4838934-B2 2011-12-14 JP claimed
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 US claimed
EP-1604653-A1 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP claimed
EP-1592685-A1 BIPHENYL DERIVATIVES HAVING &bgr; sb 2 /sb ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY Theravance Inc (US) 2005-11-09 EP claimed
EP-1042291-B1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2005-07-13 EP claimed
US-20040209860-A1 compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation THERAVANCE RESPIRATORY COMPANY, LLC 2004-10-21 US claimed
WO-2004074276-A1 BIPHENYL DERIVATIVES HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC. (US) 2004-09-02 WO claimed
US-20040116457-A1 Agents for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 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-1042291-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP claimed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 EP disclosed
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP disclosed
EP-1042291-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 WO disclosed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 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 (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-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE ALDH1A1 1185/4885MEN1 3760/4885KMT2A 1482/4885
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT ALDH1A1 1385/4885MEN1 1661/4885KMT2A 2179/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ALDH1A1 1245/4885MEN1 3303/4885KMT2A 1771/4885
US-20040209860-A1 compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation ADRA2C, ADRB2, AHR ALDH1A1 636/4885MEN1 4779/4885KMT2A 380/4885

“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.