SCHEMBL3240297

SCHEMBL3240297

O=[N+]([O-])c1cccc(CSCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
LMNA P02545 2/20 0.59
ALDH1A1 P00352 6/20 0.55
HTT P42858 2/20 0.55
POLB P06746 2/20 0.55
HSP90AA1 P07900 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
EPHX1 P07099 1/20 0.50
ACHE P22303 1/20 0.50
CTSB P07858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL14785027 0.95 TSHR (0.59) TSHRLMNAALDH1A1HTTPOLB
SCHEMBL14060334 0.90 TSHR (0.57) TSHRLMNAALDH1A1HTTPOLB
SCHEMBL3244533 0.89 TSHR (0.65) TSHRLMNAALDH1A1HTTPOLB
SCHEMBL1821090 0.87 TSHR (0.54) TSHRLMNAALDH1A1HTTPOLB
SCHEMBL15022885 0.87 TSHR (0.54) TSHRLMNAALDH1A1HTTPOLB
SCHEMBL4566930 0.87 TSHR (0.54) TSHRLMNAALDH1A1HTTPOLB
SCHEMBL8897497 0.86 NFE2L2 (0.55) TSHRLMNAALDH1A1L3MBTL1MAPT
SCHEMBL30051319 0.85 CYP1A2 (0.58) TSHRLMNAALDH1A1MAPTCYP1A2
SCHEMBL8330289 0.85 CYP1A2 (0.58) TSHRLMNAALDH1A1MAPTCYP1A2
SCHEMBL14873550 0.85 TSHR (0.61) TSHRLMNAALDH1A1HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355088-A1 BRD4-JAK2 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-11-18 US disclosed
CN-101240119-B Carbon black reacted with diazonium salts and products CABOT CORP 2011-05-11 CN disclosed
EP-1225205-B1 Carbon black reacted with diazonium salts and products CABOT CORP (US) 2010-10-06 EP disclosed
EP-1942156-B1 Carbon black reacted with diazonium salts and products CABOT CORP (US) 2010-04-14 EP disclosed
CN-101240119-A Carbon black reacted with diazonium salts and products CABOT CORP (US) 2008-08-13 CN disclosed
EP-1942156-A1 Carbon black reacted with diazonium salts and products Cabot Corporation (US) 2008-07-09 EP disclosed
CN-100351320-C Carbon black reacted with diazols, and products CABOT CORP (US) 2007-11-28 CN disclosed
US-7294185-B2 In absence of exterior applies electrical current; wear resistance CABOT CORPORATION (US) 2007-11-13 US disclosed
EP-0799281-B2 CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS CABOT CORP (US) 2006-03-29 EP disclosed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
CN-1088730-C Carbon black reacted with diazonium salts and products CABOT CORP (US) 2002-08-07 CN disclosed
EP-0799281-B1 CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS CABOT CORP (US) 2002-07-24 EP disclosed
EP-1225205-A2 Carbon black reacted with diazonium salts and products CABOT CORPORATION (US) 2002-07-24 EP disclosed
CN-1321708-A Carbon black reacted with diazols, and products CABOT CORP (US) 2001-11-14 CN disclosed
US-6042643-A AS PIGMENT TO COLOR PLASTICS, PAPER, TEXTILE, RUBBER, AQUEOUS INKS CABOT CORPORATION (US) 2000-03-28 US disclosed
US-5900029-A COLORING FIBER OR TEXTILE CABOT CORPORATION (US) 1999-05-04 US disclosed
US-5851280-A Reaction of carbon black with diazonium salts, resultant carbon black products and their uses CABOT CORPORATION (US) 1998-12-22 US disclosed
CN-1175270-A Carbon black reacted with diazonium salts and products CABOT CORP (US) 1998-03-04 CN disclosed
EP-0799281-A1 CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS CABOT CORPORATION (US) 1997-10-08 EP disclosed
WO-1996018688-A1 CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS CABOT CORPORATION (US) 1996-06-20 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 (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-20210355088-A1 BRD4-JAK2 INHIBITORS BRD4, BICRA, JAK2 TSHR 607/4885LMNA 4363/4885ALDH1A1 4190/4885

“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.