SCHEMBL6809737

SCHEMBL6809737

Cc1ccc(C(=O)Nc2ccccc2)cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MAPT P10636 3/20 0.59
HDAC2 Q92769 3/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC3 O15379 1/20 0.58
NCOR2 Q9Y618 1/20 0.58
PLAU P00749 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 3/20 0.56
GAA P10253 1/20 0.56
PTPN1 P18031 1/20 0.54
POLB P06746 2/20 0.54
F2 P00734 1/20 0.54
PLG P00747 1/20 0.54
PLAT P00750 1/20 0.54
KLKB1 P03952 1/20 0.54
KLK1 P06870 1/20 0.54
PRSS1 P07477 1/20 0.54

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
SCHEMBL11595244 0.94 KMT2A (0.70) KMT2ANPC1RAB9AMAPTHDAC2
SCHEMBL14566888 0.89 ADORA3 (0.60) KMT2ANPC1RAB9AMEN1PTPN1
SCHEMBL29771717 0.87 TDP1 (0.66) KMT2ANPC1RAB9AMAPTHDAC2
SCHEMBL14972671 0.87 TDP1 (0.66) KMT2ANPC1RAB9AMAPTHDAC2
SCHEMBL11147330 0.87 RAB9A (0.66) KMT2ANPC1RAB9AMAPTTDP1
SCHEMBL9116112 0.87 HDAC2 (0.58) KMT2ANPC1RAB9AMAPTHDAC2
SCHEMBL19070454 0.87 MAPT (0.59) KMT2ANPC1RAB9AMAPTTDP1
SCHEMBL22025458 0.86 MEN1 (0.69) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL25925726 0.86 GPR27 (0.67) KMT2AMAPTMEN1POLBTP53
SCHEMBL11593633 0.86 CACNA1B (0.57) KMT2ANPC1RAB9AMAPTHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011021678-A1 FUSED HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2011-02-24 WO disclosed
EP-1042276-B1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER LAMBERT CO (US) 2004-11-17 EP disclosed
US-6528528-B2 Inhibitors of 15-lipoxygenase, inhibiting chemotaxis of monocytes WARNER-LAMBERT COMPANY 2003-03-04 US disclosed
US-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis CONNOR DAVID THOMAS (US) 2001-10-18 US disclosed
US-6268387-B1 INHIBITORS OF THE ENZYME 15-LIPOXYGENASE AND ARE INHIBITORS OF MONOCYTE CHEMOTAXIS. WARNER-LAMBERT COMPANY 2001-07-31 US disclosed
EP-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 EP disclosed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO disclosed
US-4775747-A PIGMENTS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1988-10-04 US disclosed
US-4670486-A Polymer composition pigmented with copper or nickel complexes of ligands containing a semicarbazone moiety CIBA-GEIGY CORPORATION (US) 1987-06-02 US disclosed
US-4639477-A AZO DYES CIBA-GEIGY CORPORATION (US) 1987-01-27 US disclosed
US-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 US disclosed
US-4031073-A Monoazo pigments containing barbituric acid or thio- or imino-derivatives thereof CIBA-GEIGY CORPORATION (US) 1977-06-21 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-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis TPMT, CTH, CBS KMT2A 1976/4885NPC1 230/4885RAB9A 4084/4885

“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.