SCHEMBL5353787

SCHEMBL5353787

c1c[nH]c(C(c2ncc[nH]2)c2ncc[nH]2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NISCH Q9Y2I1 2/20 0.41
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CSNK1A1 P48729 1/20 0.34
TYRO3 Q06418 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
F2RL1 P55085 7/20 0.34
FPR2 P25090 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL1348889 0.79 SLC6A2 (0.50) ALDH1A1NISCHMTORADKADRA2A
SCHEMBL2887479 0.78
SCHEMBL29046781 0.78 ADRA2A (0.53) ALDH1A1SMN1; SMN2NISCHMTORADK
SCHEMBL7868086 0.78 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NISCHMTORADK
SCHEMBL189942 0.78
SCHEMBL6995795 0.78 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NISCHMTORADK
SCHEMBL3294810 0.78
SCHEMBL947712 0.78
SCHEMBL9501488 0.78 F2RL1 (0.46) F2RL1
SCHEMBL8009073 0.77 CYP19A1 (0.36) F2RL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291692-B2 Polyarylene oxide and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-7161000-B2 Method for producing phenol condensate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-09 US disclosed
WO-2005110348-A1 COMPOSITIONS FOR ACCELERATED TOOTH-WHITENING COLGATE-PALMOLIVE COMPANY (US) 2005-11-24 WO disclosed
US-20050249679-A1 Compositions for accelerated tooth-whitening COLGATE-PALMOLIVE COMPANY 2005-11-10 US disclosed
US-20050096452-A1 Polyarylene oxide and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
US-20040267057-A1 Method for producing phenol condensate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-30 US disclosed
EP-0837670-B1 METHOD OF WHITENING STAINED OR DISCOLORED TEETH AND A TWO COMPONENT WHITENING DENTIFRICE COMPOSITION COLGATE PALMOLIVE CO (US) 2003-04-02 EP disclosed
US-6383636-B2 MOLDING MATERIALS; IMPACT STRENGTH, HEAT RESISTANCE, SOLVENT RESISTANCE DIRECTOR-GENERAL OF NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY, MINISTRY OF ECONOMY, TRADE AND INDUSTRY (JP) 2002-05-07 US disclosed
US-20020007020-A1 (2,5-disubstituted-1,4-phenylene oxide) block or graft copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-17 US disclosed
EP-0775192-B1 BLEACHING COMPOSITIONS CONTAINING IMINE, PEROXIDE COMPOUND AND A TRANSITION METAL CATALYST UNILEVER NV (NL) 2001-08-01 EP disclosed
WO-1997002805-A1 ORAL COMPOSITIONS HAVING ACCELERATED TOOTH WHITENING EFFECT COLGATE-PALMOLIVE COMPANY (US) 1997-01-30 WO disclosed
WO-1996040855-A1 BLEACHING COMPOSITIONS CONTAINING IMINE, PEROXIDE COMPOUND AND A TRANSITION METAL CATALYST UNILEVER N.V. (NL) 1996-12-19 WO disclosed
WO-1996023860-A1 AUTOMATIC DISHWASHING COMPOSITIONS COMPRISING COBALT CHELATED CATALYSTS THE PROCTER & GAMBLE COMPANY (US) 1996-08-08 WO disclosed
WO-1996006154-A1 DETERGENT BLEACH COMPOSITION UNILEVER N.V. (NL) 1996-02-29 WO disclosed
WO-1996006157-A1 DETERGENT BLEACH COMPOSITION UNILEVER N.V. (NL) 1996-02-29 WO disclosed
US-5274147-A Reacting a manganese(III) salt with a ligand and oxidizing the complex with hydrogen peroxide LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1993-12-28 US disclosed
US-5244594-A BLEACH ACTIVATION MULTINUCLEAR MANGANESE-BASED COORDINATION COMPLEXES LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1993-09-14 US disclosed
EP-0544490-A1 Detergent bleach compositions UNILEVER PLC (GB) 1993-06-02 EP disclosed
EP-0522817-A1 Process for preparing manganese complexes UNILEVER PLC (GB) 1993-01-13 EP disclosed
EP-0458398-A2 Bleach activation UNILEVER N.V. (NL) 1991-11-27 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 (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-20040267057-A1 Method for producing phenol condensate SOD1, MLX, XDH ALDH1A1 4384/4885SMN1; SMN2 1557/4885NISCH 344/4885

“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.