SCHEMBL4685161

SCHEMBL4685161

NC(=O)Cc1cccc(I)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
THPO P40225 1/20 0.55
RAB9A P51151 1/20 0.55
HIF1A Q16665 1/20 0.55
MAPK8 P45983 1/20 0.52
LMNA P02545 1/20 0.51
PMP22 Q01453 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
IDO1 P14902 2/20 0.50
CA2 P00918 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SIGMAR1 Q99720 4/20 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
SCHEMBL29492946 1.00 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19THPORAB9A
SCHEMBL10339219 0.85 CA2 (0.54) RAB9ALMNACA2KDM4EALDH1A1
SCHEMBL1052818 0.82 AKR1B1 (0.58) CYP1A2CYP2D6CYP2C19THPORAB9A
SCHEMBL28184245 0.81 CYP2D6 (0.51) CYP1A2CYP2D6CYP2C19THPORAB9A
SCHEMBL10386674 0.80 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19THPORAB9A
SCHEMBL2648742 0.80 IDO1 (0.50) CYP1A2CYP2D6CYP2C19THPORAB9A
SCHEMBL4685156 0.80 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19THPORAB9A
SCHEMBL30967872 0.79 AOC2 (0.58) CYP1A2CYP2D6CYP2C19THPORAB9A
SCHEMBL933330 0.79 RAB9A (0.50) CYP1A2CYP2D6CYP2C19THPORAB9A
SCHEMBL29237599 0.79 AOC2 (0.58) CYP1A2CYP2D6CYP2C19THPORAB9A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216335-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS INC (US) 2017-08-03 US disclosed
US-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS, INC. 2015-10-01 US disclosed
EP-2594273-A1 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient Pericor Therapeutics, Inc. (US) 2013-05-22 EP disclosed
US-20080175891-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS, INC. 2008-07-24 US disclosed
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-20060293273-A1 Methods, Compositions, and Formulations for Preventing or Reducing Adverse Effects in a Patient PERICOR THERAPEUTICS, INC. 2006-12-28 US disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0514667-B1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 1995-08-09 EP disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP 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-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT TNNC1, ASAH2, PGF CYP1A2 1138/4885CYP2D6 655/4885CYP2C19 373/4885
US-20060293273-A1 Methods, Compositions, and Formulations for Preventing or Reducing Adverse Effects in a Patient TNNC1, ASAH2, PGF CYP1A2 1138/4885CYP2D6 655/4885CYP2C19 373/4885
US-20080175891-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT NNT, PGF, GART CYP1A2 1025/4885CYP2D6 1561/4885CYP2C19 530/4885
US-20170216335-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT TNNC1, ASAH2, PGF CYP1A2 1138/4885CYP2D6 655/4885CYP2C19 373/4885

“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.