SCHEMBL2226447

SCHEMBL2226447

N#CCc1csc(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.49
RAB9A P51151 7/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
PRNP P04156 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
AR P10275 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL11341609 0.86 KDM4E (0.45) DRD2DRD4DRD3KDM4EHPGD
SCHEMBL10445185 0.83 LMNA (0.52) DRD2DRD4DRD3KDM4EHPGD
SCHEMBL2222461 0.83 GFER (0.66) KDM4ERAB9ALMNAMAPTSMN1; SMN2
SCHEMBL1557834 0.83 LMNA (0.47) DRD2DRD4DRD3KDM4EHPGD
SCHEMBL2224890 0.83 LMNA (0.57) KDM4EHPGDRAB9ALMNAMAPT
SCHEMBL3846593 0.83 KDM4E (0.54) DRD2DRD4DRD3KDM4EHPGD
SCHEMBL28009248 0.80 ALDH1A1 (0.44) DRD2DRD4DRD3KDM4EHPGD
SCHEMBL5930632 0.80 ALDH1A1 (0.69) KDM4EHPGDRAB9ALMNAMAPT
SCHEMBL3373552 0.80 GFER (0.45) KDM4EHPGDRAB9ALMNAMAPT
SCHEMBL9722048 0.77 PPARA (0.56) DRD2DRD4DRD3KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015172196-A1 HETEROCYCLIC COMPOUNDS AND USE OF SAME MONASH UNIVERSITY (AU) 2015-11-19 WO disclosed
WO-2015172196-A1 HETEROCYCLIC COMPOUNDS AND USE OF SAME MONASH UNIVERSITY (AU) 2015-11-19 WO disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
CN-1763003-A Ethylene derivatives and pesticides containing the same NISSAN CHEMICAL IND LTD (JP) 2006-04-26 CN disclosed
CN-1227229-C Ethylene derivatives and pesticides containing the same NISSAN CHEMICAL IND LTD (JP) 2005-11-16 CN disclosed
US-20030216394-A1 Etylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-20 US disclosed
EP-1360901-A1 2,3-cyclic substituted derivatives of 3-hydroxyacrolein and 3-hydroxyacrylic acid as pesticides NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2003-11-12 EP disclosed
US-RE38188-E1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-15 US disclosed
EP-0913392-B1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL IND LTD (JP) 2003-07-02 EP disclosed
US-6462049-B1 LOW TOXICITY AND PERSISTENT INSECTICIDES AND FUNGICIDES; PREVENTING ATTACHMENT OF AQUATIC ORGANISMS; ECOSYSTEM FRIENDLY; NONPOLLUTING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-08 US disclosed
US-6063734-A AGRICULTURAL CHEMICALS, AGENTS FOR PREVENTING ATTACHMENT OF AQUATIC ORGANISMS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-16 US disclosed
CN-1216530-A Ethylene derivatives and pesticides containing the same NISSAN CHEMICAL IND LTD (JP) 1999-05-12 CN disclosed
EP-0913392-A1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-05-06 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-20030216394-A1 Etylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL DRD2 207/4885DRD4 247/4885DRD3 193/4885
US-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY DRD2 1466/4885DRD4 608/4885DRD3 304/4885

“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.