SCHEMBL4685756

SCHEMBL4685756

[NH]C(=O)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.53
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
SIGMAR1 Q99720 3/20 0.51
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL11367507 0.86 TSHR (0.59) TSHRALDH1A1SMN1; SMN2LMNACES2
SCHEMBL11362791 0.84 TSHR (0.61) TSHRALDH1A1SMN1; SMN2LMNACES2
SCHEMBL2651119 0.84 TSHR (0.61) TSHRALDH1A1SMN1; SMN2LMNACES2
SCHEMBL296300 0.84 TSHR (0.61) TSHRALDH1A1SMN1; SMN2LMNACES2
SCHEMBL48947 0.83 TSHR (0.59) TSHRALDH1A1SMN1; SMN2LMNACES2
SCHEMBL1694325 0.83 TSHR (0.59) TSHRALDH1A1SMN1; SMN2LMNACES2
SCHEMBL7723429 0.83 TSHR (0.59) TSHRALDH1A1SMN1; SMN2LMNACES2
SCHEMBL2082576 0.83 TSHR (0.59) TSHRALDH1A1SMN1; SMN2LMNACES2
SCHEMBL641742 0.83 TSHR (0.64) TSHRALDH1A1SMN1; SMN2LMNACES2
Hydrochloric Acid SCHEMBL2532656 0.83 TSHR (0.59) TSHRALDH1A1SMN1; SMN2LMNACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6972287-B1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits PFIZER INC. (US) 2005-12-06 US disclosed
US-20040220235-A1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits AUGELLI-SZAFRAN CORINNE ELIZAB (US) 2004-11-04 US disclosed
EP-1225886-A2 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 2002-07-31 EP disclosed
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
WO-2000076489-A2 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 2000-12-21 WO disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 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-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP 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
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed
US-4133808-A 4-(Formylthio)azetidinones and ozonization process therefor ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed
US-4048157-A 4(Formylthio)-azetidin-2-ones and ozonization process therefor ELI LILLY AND COMPANY (US) 1977-09-13 US 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 (1 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-20040220235-A1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits APP, PSEN1, BACE1 TSHR 4702/4885ALDH1A1 2945/4885SMN1; SMN2 1185/4885

“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.