SCHEMBL3246110

SCHEMBL3246110

Cc1ccc(OCN)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.54
DRD2 P14416 3/20 0.48
DRD4 P21917 3/20 0.48
DRD3 P35462 3/20 0.48
ACHE P22303 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
AGXT P21549 2/20 0.46
TEAD4 Q15561 1/20 0.46
KCNH2 Q12809 2/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PARP10 Q53GL7 1/20 0.44
NQO1 P15559 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL7640115 0.86 AGXT (0.56) AGXTTDP1NQO1
SCHEMBL3158699 0.80 TAAR1 (0.60) WDR5DRD2DRD4DRD3L3MBTL1
SCHEMBL20512950 0.79 CA12 (0.58) ACHEAGXTALDH1A1TDP1CA1
Hydrochloric Acid SCHEMBL3522994 0.78 TAAR1 (0.58) WDR5DRD2DRD4DRD3L3MBTL1
SCHEMBL2470401 0.78 DRD2 (0.59) WDR5DRD2DRD4DRD3L3MBTL1
SCHEMBL313373 0.78 DRD2 (0.64) WDR5DRD2DRD4DRD3ACHE
SCHEMBL1688857 0.78 ACHE (0.52) WDR5DRD2DRD4DRD3ACHE
SCHEMBL13461370 0.77 DRD2 (0.47) WDR5DRD2DRD4DRD3ACHE
SCHEMBL14159033 0.77 ACHE (0.46) WDR5DRD2DRD4DRD3ACHE
SCHEMBL6849781 0.77 DRD2 (0.57) WDR5DRD2DRD4DRD3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399540-A1 BROMINATED FLAME-RETARDANT TETRAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-12-24 US disclosed
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION V-BAC HOLDING CORP. (CA) 2015-09-24 US disclosed
US-8895680-B2 Redox curing-type nonaqueous curable composition KURARAY NORITAKE DENTAL INC. (JP) 2014-11-25 US disclosed
US-20100240798-A1 REDOX-CURING TYPE NONAQUEOUS CURABLE COMPOSITION KURARAY MEDICAL INC. (JP) 2010-09-23 US disclosed
EP-1780223-B1 REDOX CURING-TYPE NONAQUEOUS CURABLE COMPOSITION KURARAY MEDICAL INC (JP) 2010-07-28 EP disclosed
US-20080081889-A1 Free radical monomers, organic peroxide and powdered water soluble reducing compound; high adhesive strength against wetting material; teeth and bone restoration KURARAY MEDICAL INC. (JP) 2008-04-03 US disclosed
EP-1780223-A1 REDOX CURING-TYPE NONAQUEOUS CURABLE COMPOSITION Kuraray Medical Inc. (JP) 2007-05-02 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 (3 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-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 WDR5 1631/4885DRD2 3581/4885DRD4 3092/4885
US-20100240798-A1 REDOX-CURING TYPE NONAQUEOUS CURABLE COMPOSITION LPO, CDH1, GPX4 WDR5 128/4885DRD2 971/4885DRD4 1376/4885
US-20200399540-A1 BROMINATED FLAME-RETARDANT TETRAZINES PBRM1, NBAS, TIPRL WDR5 791/4885DRD2 2813/4885DRD4 871/4885

“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.