SCHEMBL1552406

SCHEMBL1552406

O=C(O)c1cc(Nc2nc(Cl)nc(Cl)n2)cc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.52
RHOA P61586 1/20 0.50
P2RY2 P41231 1/20 0.47
P2RY4 P51582 1/20 0.47
P2RY6 Q15077 1/20 0.47
P2RY12 Q9H244 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 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
SCHEMBL1552639 0.96 RHOA (0.54) NFKB1RHOAP2RY2P2RY4P2RY6
SCHEMBL11458160 0.95 RHOA (0.53) NFKB1RHOAP2RY2P2RY4P2RY6
SCHEMBL13913976 0.90 RHOA (0.45) NFKB1RHOAP2RY2P2RY4P2RY6
SCHEMBL8507305 0.89 RHOA (0.48) NFKB1RHOAP2RY2P2RY4P2RY6
SCHEMBL13818453 0.89 PDE4B (0.48) NFKB1RHOAP2RY2P2RY4P2RY6
SCHEMBL11459535 0.87 RHOA (0.62) RHOAMEN1KMT2ANPC1RAB9A
SCHEMBL16546008 0.86 RHOA (0.73) NFKB1RHOAMEN1KMT2AMAPT
SCHEMBL1552062 0.85 RHOA (0.44) NFKB1RHOAP2RY2P2RY4P2RY6
SCHEMBL4099966 0.83 RHOA (0.74) NFKB1RHOAMEN1KMT2AMAPT
SCHEMBL7941615 0.82 TPMT (0.56) MAPTMAPK1SMN1; SMN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193696-B2 Carboxylic acid type water-soluble sulfur dye DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2015-11-24 US disclosed
US-20150065707-A1 CARBOXYLIC ACID TYPE WATER-SOLUBLE SULFUR DYE DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2015-03-05 US disclosed
US-7947087-B2 Color transfer inhibitors, detergent compositions containing the same and uses therefor HENKEL AG & CO. KGAA (DE) 2011-05-24 US disclosed
EP-1994133-B1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION HENKEL AG & CO KGAA (DE) 2011-04-27 EP disclosed
US-20090069210-A1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION HENKEL AG & CO. KGAA (DE) 2009-03-12 US disclosed
EP-1994133-A1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION Henkel AG & Co. KGaA (DE) 2008-11-26 EP disclosed
WO-2007104392-A1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION HENKEL AG & CO. KGAA (DE) 2007-09-20 WO disclosed
WO-1994010345-A1 SKIN TREATMENT ZENECA LIMITED (GB) 1994-05-11 WO disclosed
US-4092243-A CONTAINING TRIAZINE RINGS, SELECTIVE ABSORPTION OF HYDROCARBONS BAYER AKTIENGESELLSCHAFT (DT) 1978-05-30 US disclosed
US-3957728-A MODIFIED WITH S-TRIAZINES; ABSORBENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 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-20150065707-A1 CARBOXYLIC ACID TYPE WATER-SOLUBLE SULFUR DYE LPO, LDHA, ALOX5 NFKB1 909/4885RHOA 4706/4885P2RY2 4248/4885

“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.