SCHEMBL4700346

SCHEMBL4700346

Nc1ccc(CCNC(=O)C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.54
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
STS P08842 1/20 0.45
MLYCD O95822 1/20 0.44
HIF1A Q16665 1/20 0.44
GFER P55789 1/20 0.43
MMP8 P22894 1/20 0.43
PPID Q08752 1/20 0.43
KDM4E B2RXH2 1/20 0.42
F13A1 P00488 1/20 0.42
CA3 P07451 2/20 0.42
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA12 O43570 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
Hydrochloric Acid SCHEMBL7334449 0.98 ESRRG (0.52) ESRRGCA2CA1ALDH1A1POLB
SCHEMBL6433557 0.84 KDM4E (0.61) ESRRGCA2CA1ALDH1A1POLB
SCHEMBL4179064 0.84 HPGD (0.57) CA2CA1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4702861 0.83 ALDH1A1 (0.47) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL5553483 0.83 PLAAT3 (0.58) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6275214 0.83 SMN1; SMN2 (0.47) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL1094537 0.83 CNR1 (0.57) SMN1; SMN2GFER
SCHEMBL419646 0.83 CNR1 (0.50) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL14141265 0.83 NPC1 (0.59) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL27353884 0.83 ESRRG (0.54) ESRRGCA2CA1SMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335902-B1 HETEROARYLACRYLOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM SANOFI AVENTIS DEUTSCHLAND (DE) 2008-10-08 EP disclosed
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 US disclosed
EP-1345892-B1 ACYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA GMBH (DE) 2005-03-09 EP disclosed
EP-1183236-B1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA GMBH (DE) 2003-10-22 EP disclosed
EP-1345892-A2 ACYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES Aventis Pharma Deutschland GmbH (DE) 2003-09-24 EP disclosed
EP-1335902-A1 HETEROARYLACRYLOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2003-08-20 EP disclosed
US-6511989-B2 For therapy of vagal dysfunction in the heart, improving cardiac function, therapy of person susceptible to cardiac death AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-01-28 US disclosed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
US-6472413-B2 FOR THERAPY OF VAGAL DYSFUNCTION IN THE HEART, IMPROVING CARDIAC FUNCTION, THERAPY OF PERSON SUSCEPTIBLE TO CARDIAC DEATH ADVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-10-29 US disclosed
US-20020123494-A1 Acylaminoalkyl-substituted benzenesulfonamide derivatives, their preparation, their use and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-09-05 US disclosed
WO-2000071513-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-30 WO disclosed
US-6132957-A CONTACTING A 9-SUBSTITUTED ADENINE WITH A CELL EXTRACT CONTAINING ADENYLATE CYCLASE ACTIVITY, DETECTING THE AMOUNT OF INHIBITION, AND CORRELATING WITH TEST STANDARD OR CONTROL; NOVEL THERAPIES FOR CARDIOVASCULAR DISORDERS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2000-10-17 US disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
US-5795756-A Method and compounds for the inhibition of adenylyl cyclase THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 1998-08-18 US disclosed
US-5773469-A Diaryl antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-06-30 US disclosed
WO-1997048674-A1 DIARYL ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-24 WO disclosed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN disclosed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 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 (2 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-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R ESRRG 717/4885CA2 650/4885CA1 990/4885
US-20020123494-A1 Acylaminoalkyl-substituted benzenesulfonamide derivatives, their preparation, their use and pharmaceutical preparations comprising them KCNJ11, KCNJ1, KCNA1 ESRRG 4702/4885CA2 438/4885CA1 2193/4885

“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.