SCHEMBL13868993

SCHEMBL13868993

O=C1C(Cl)=C(Nc2ccc(C(=O)O)cc2)C(=O)C(Cl)=C1Nc1ccc(C(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.76
KMT2A Q03164 6/20 0.76
MAPT P10636 6/20 0.76
HTT P42858 6/20 0.76
NPSR1 Q6W5P4 5/20 0.76
MAPK1 P28482 5/20 0.76
NPC1 O15118 5/20 0.76
CDC25A P30304 3/20 0.76
CDC25B P30305 3/20 0.76
HKDC1 Q2TB90 2/20 0.76
L3MBTL1 Q9Y468 2/20 0.76
HK1 P19367 1/20 0.76
CDC25C P30307 1/20 0.76
PTPN6 P29350 1/20 0.55
MEN1 O00255 5/20 0.53
ATM Q13315 4/20 0.53
ALDH1A1 P00352 2/20 0.53
MAP2K7 O14733 1/20 0.53
NSD2 O96028 1/20 0.53
MCL1 Q07820 1/20 0.53

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
SCHEMBL251773 0.79 TSHR (0.67) RAB9AKMT2AMAPTHTTNPSR1
SCHEMBL11177087 0.78 TSHR (0.74) RAB9AKMT2AMAPTHTTNPSR1
SCHEMBL13868991 0.77 KMT2A (0.76) RAB9AKMT2AMAPTHTTNPSR1
SCHEMBL13417403 0.74 MAPT (0.50) RAB9AKMT2AMAPTHTTNPSR1
SCHEMBL9479471 0.73 MAPK13 (0.72) KMT2AMAPTMAPK1L3MBTL1MEN1
4-Phenylamino Benzoic Acid SCHEMBL70190 0.73 MAPK13 (0.72) KMT2AMAPTMAPK1L3MBTL1MEN1
SCHEMBL16583990 0.72 TSHR (0.62) RAB9AKMT2AMAPTHTTNPSR1
SCHEMBL31612179 0.72 PTPN6 (1.00) RAB9AKMT2AMAPTHTTNPSR1
SCHEMBL2127845 0.71 TYR (0.73) RAB9AMAPTHTTNPC1ATM
Terephthalic Acid SCHEMBL31588347 0.71 TSHR (0.92) ALDH1A1SMN1; SMN2TSHRALOX15TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524953-B2 Triphendioxazine pigments CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2009-04-28 US disclosed
US-7524953-B2 Triphendioxazine pigments CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2009-04-28 US disclosed
EP-1706459-B1 TRIPHENDIOXAZINE PIGMENTS CLARIANT PRODUKTE DEUTSCHLAND (DE) 2008-11-19 EP disclosed
US-20080234480-A1 Triphendioxazine Pigments CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2008-09-25 US disclosed
US-20080234480-A1 Triphendioxazine Pigments CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2008-09-25 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-20080234480-A1 Triphendioxazine Pigments NR2E3, NR2C2, NR4A1 RAB9A 4215/4885KMT2A 365/4885MAPT 3568/4885

“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.