SCHEMBL93992

SCHEMBL93992

CC(O)c1cc(N)c(Cl)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
PDE2A O00408 1/20 0.39
CD44 P16070 1/20 0.38
NPC1 O15118 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TSHR P16473 4/20 0.33
CYP3A4 P08684 3/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 3/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC9A1 P19634 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
SCHEMBL16932995 0.79 PTK2 (0.37) GAAPDE2AHTTALDH1A1
SCHEMBL29351107 0.78 PDE2A (0.40) GAAPDE2ACD44TSHRCYP3A4
SCHEMBL4640070 0.76 CYP3A4 (0.50) GAACD44TSHRCYP3A4KDM4E
SCHEMBL14044065 0.75 CD44 (0.45) GAAPDE2ACD44NPC1TSHR
SCHEMBL1099954 0.74 PDE2A (0.40) GAAPDE2ACD44TP53LMNA
SCHEMBL3342774 0.74 PDE2A (0.40) GAAPDE2ACD44TP53LMNA
SCHEMBL3340038 0.74 PDE2A (0.40) GAAPDE2ACD44TP53LMNA
SCHEMBL20315042 0.73 GAA (0.50) GAACD44NPC1CA12CA1
SCHEMBL1374747 0.72 TP53 (0.48) GAAPDE2ATSHRCYP3A4TP53
SCHEMBL64092 0.72 GAA (1.00) GAACD44NPC1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023054558-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT KAO CORPORATION (JP) 2023-04-06 WO claimed
EP-4159184-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT Kao Corporation (JP) 2023-04-05 EP claimed
EP-2658507-B1 OXIDATIVE COLOURING COMPOSITION KAO GERMANY GMBH (DE) 2019-04-24 EP claimed
US-8613778-B2 Oxidative colouring composition KAO GERMANY GMBH (DE) 2013-12-24 US claimed
EP-2658507-A1 OXIDATIVE COLOURING COMPOSITION Kao Germany GmbH (DE) 2013-11-06 EP claimed
US-20130276811-A1 OXIDATIVE COLOURING COMPOSITION KAO GERMANY GMBH (DE) 2013-10-24 US claimed
WO-2012089648-A1 OXIDATIVE COLOURING COMPOSITION KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2012-07-05 WO claimed
EP-2468241-A1 Oxidative colouring composition KPSS-Kao Professional Salon Services GmbH (DE) 2012-06-27 EP claimed
EP-1598049-B1 Composition for coloring of keratin fibres KPSS KAO GMBH (DE) 2008-08-06 EP claimed
EP-1250908-B1 Hair dye KPSS KAO GMBH (DE) 2007-03-14 EP claimed
US-20050257332-A1 Composition for coloring of keratin fibres KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-11-24 US claimed
EP-1598049-A1 Composition for coloring of keratin fibres KPSS-Kao Professional Salon Services GmbH (DE) 2005-11-23 EP claimed
EP-1297818-A2 Hair dye KPSS-Kao Professional Salon Services GmbH (DE) 2003-04-02 EP claimed
EP-1250908-A2 Hair dye GOLDWELL GmbH (DE) 2002-10-23 EP claimed
EP-2658508-B2 TWO-PART HAIR COLOURING COMPOSITION KAO GERMANY GMBH (DE) 2024-06-19 EP disclosed
EP-3427720-B1 AQUEOUS BLEACHING AND/OR DYEING COMPOSITION FOR KERATIN FIBERS, PROCESS, KIT AND USE THEREOF KAO GERMANY GMBH (DE) 2024-05-22 EP disclosed
EP-3427719-B1 AQUEOUS BLEACHING AND DYEING COMPOSITION FOR KERATIN FIBERS, PROCESS, KIT AND USE THEREOF KAO GERMANY GMBH (DE) 2024-03-06 EP disclosed
EP-1250910-A1 Hair dye composition GOLDWELL GmbH (DE) 2002-10-23 EP disclosed
EP-1250912-A1 Hair dye composition GOLDWELL GmbH (DE) 2002-10-23 EP disclosed
EP-1250908-A2 Hair dye GOLDWELL GmbH (DE) 2002-10-23 EP 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 (2 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-20050257332-A1 Composition for coloring of keratin fibres KRT18, CBR3, CYC1 GAA 4879/4885PDE2A 2580/4885CD44 1935/4885
US-20130276811-A1 OXIDATIVE COLOURING COMPOSITION KRT18, MT-ND5, MT-CO1 GAA 4563/4885PDE2A 4129/4885CD44 445/4885

“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.