SCHEMBL4465110

SCHEMBL4465110

Nc1cc(N)c(Cl)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 7/20 0.47
GAA P10253 2/20 0.44
THRB P10828 2/20 0.43
PTK2 Q05397 1/20 0.38
TSHR P16473 7/20 0.37
TDP1 Q9NUW8 3/20 0.36
ALOX15 P16050 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CASP1 P29466 2/20 0.35
CD44 P16070 1/20 0.35
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL27522944 0.84 CYP3A4 (0.55) CYP3A4TP53ALDH1A1GAATHRB
SCHEMBL1041423 0.80 CYP3A4 (0.39) CYP3A4TP53ALDH1A1GAATHRB
SCHEMBL5528095 0.80 CASP1 (0.44) CYP3A4TP53ALDH1A1GAATHRB
SCHEMBL3650638 0.79 CYP3A4 (0.54) CYP3A4TP53ALDH1A1GAATHRB
SCHEMBL1040870 0.74 TSHR (0.45) CYP3A4TP53ALDH1A1GAATHRB
SCHEMBL11398114 0.74 KDM4E (0.40) CYP3A4TP53ALDH1A1GAATHRB
SCHEMBL3303530 0.73 ALDH1A1 (0.47) CYP3A4TP53ALDH1A1GAATHRB
SCHEMBL1462101 0.73 GAA (0.40) CYP3A4TP53ALDH1A1GAAPTK2
SCHEMBL7190503 0.72 CYP3A4 (0.70) CYP3A4TP53ALDH1A1GAATHRB
SCHEMBL31396152 0.72 CYP3A4 (0.70) CYP3A4TP53ALDH1A1GAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263324-B1 RADIOGRAPHIC ASSESSMENT OF TISSUE RESPONSE TO COMPOUNDS VERITAS PHARMACEUTICALS (US) 2009-12-02 EP disclosed
US-20040170561-A1 Functional radiographic imaging methods and agents SALB JESSE (US) 2004-09-02 US disclosed
US-6751290-B2 Radiographic assessment of tissue after exposure to a compound VERITAS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6723746-B2 CELL MEMBRANE-PERMEABLE, RADIO-OPAQUE IMAGING AGENT VERITAS PHARMACEUTICALS, INC. 2004-04-20 US disclosed
EP-1263478-A2 FUNCTIONAL RADIOGRAPHIC IMAGING METHODS AND AGENTS Veritas Pharmaceuticals (US) 2002-12-11 EP disclosed
US-20020039401-A1 Radiographic assessment of tissue after exposure to a compound VERITAS PHARMACEUTICALS, INC. 2002-04-04 US disclosed
US-20010038682-A1 Radiographic assessment of tissue response to compounds VERITAS PHARMACEUTICALS INC., A DELAWARE CORP. 2001-11-08 US disclosed
US-20010031035-A1 Functional radiographic imaging methods and agents VERITAS PHARMACEUTICALS INC. 2001-10-18 US disclosed
WO-2001068151-A2 FUNCTIONAL RADIOGRAPHIC IMAGING METHODS AND AGENTS VERITAS PHARMACEUTICALS (US) 2001-09-20 WO disclosed
US-4296260-A Process for the preparation of phloroglucinol AKZONA INCORPORATED (US) 1981-10-20 US disclosed
US-4157450-A Benzene-1,3,5-tris-acetoxime and the process for making phloroglucinol therewith AKZONA INCORPORATED (US) 1979-06-05 US disclosed
US-4123461-A Benzene-tricarboxylic acid-(1,3,5)-tri-N-chloramide and process for the preparation thereof AKZONA INCORPORATED (US) 1978-10-31 US disclosed
US-4115451-A Benzene-1,3,5-tris-acetoxime and the process for making phloroglucinol therewith AKZONA INCORPORATED (US) 1978-09-19 US disclosed
US-4071555-A Benzene-1,3,5-tris-acetoxime and the process for making phloroglucinol therewith AKZONA INCORPORATED (US) 1978-01-31 US disclosed
US-4057588-A Process for the preparation of phloroglucinol AKZONA INCORPORATED (US) 1977-11-08 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-20040170561-A1 Functional radiographic imaging methods and agents GPR180, TMEM120A, RXFP1 CYP3A4 4792/4885TP53 637/4885ALDH1A1 4200/4885

“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.