SCHEMBL3238178

SCHEMBL3238178

Nc1ccc(SSSSc2ccc(N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.58
TSHR P16473 4/20 0.58
MAPK1 P28482 2/20 0.58
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 6/20 0.46
KDM4E B2RXH2 1/20 0.46
FBP1 P09467 1/20 0.43
TP53 P04637 1/20 0.42
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ACHE P22303 1/20 0.38
CA3 P07451 1/20 0.38
THRB P10828 1/20 0.38
CA6 P23280 1/20 0.38
CASP1 P29466 1/20 0.38
HIF1A Q16665 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL11172315 0.94 CYP3A4 (0.58) CYP3A4TSHRMAPK1MEN1KMT2A
SCHEMBL9976768 0.87 ACHE (0.62) CYP3A4TSHRMAPK1MEN1KMT2A
SCHEMBL34346 0.87 CYP3A4 (0.65) CYP3A4TSHRMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL3248171 0.84 CYP3A4 (0.61) CYP3A4TSHRMAPK1MEN1KMT2A
SCHEMBL3245843 0.84 CYP3A4 (0.48) CYP3A4TSHRMAPK1MEN1KMT2A
SCHEMBL3326593 0.79 ALDH1A1 (0.65) CYP3A4TSHRMAPK1MEN1KMT2A
SCHEMBL3246649 0.77 MAPT (0.67) CYP3A4TSHRMAPK1MEN1KMT2A
SCHEMBL27537836 0.77 CYP3A4 (0.52) CYP3A4TSHRMAPK1MEN1KMT2A
SCHEMBL4909228 0.77 CYP3A4 (0.52) CYP3A4TSHRMAPK1MEN1KMT2A
SCHEMBL8738051 0.75 ACHE (0.68) CYP3A4TSHRMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202997-B2 Compositions and methods for treating or preventing hypoxic or ischemic injury IKARIA, INC. (US) 2012-06-19 US disclosed
US-8202997-B2 Compositions and methods for treating or preventing hypoxic or ischemic injury IKARIA, INC. (US) 2012-06-19 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
US-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-05-27 US disclosed
US-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-05-27 US disclosed
WO-2010045582-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-04-22 WO 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-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-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY HIF1AN, HIF1A, HYOU1 CYP3A4 3440/4885TSHR 2862/4885MAPK1 2432/4885

“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.