SCHEMBL2399513

SCHEMBL2399513

COc1cccc(NC(=O)N2CCNCC2)c1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.78
RAB9A P51151 3/20 0.76
NPC1 O15118 2/20 0.76
SMN1; SMN2 Q16637 2/20 0.65
TSHR P16473 2/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPK1 P28482 2/20 0.62
MAPT P10636 2/20 0.62
LMNA P02545 1/20 0.62
POLB P06746 2/20 0.61
FAAH O00519 2/20 0.57
CCNC P24863 1/20 0.57
CDK8 P49336 1/20 0.57
GRIN2B Q13224 2/20 0.56
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.55

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
SCHEMBL27979642 0.90 HTT (0.89) HTTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL16178483 0.86 HTT (0.65) HTTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL417569 0.86 RAB9A (1.00) HTTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL20237168 0.85 HTT (0.80) HTTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL20236314 0.85 HTT (0.80) HTTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL28647113 0.85 HTT (0.56) HTTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL31058115 0.84 HTT (0.54) HTTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL20236298 0.84 HTT (0.78) HTTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL5426206 0.84 HTT (0.78) HTTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL5458965 0.83 MAPT (0.79) RAB9ANPC1SMN1; SMN2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1812790-A 3-(1-naphthyl)-2-cyanopropanoic acid derivatives as estrogen receptor WYETH CORP (US) 2006-08-02 CN claimed
CN-108137518-A As 6 inhibitor of histone deacetylase 1,3,4- oxadiazole derivatives compound and include its pharmaceutical composition 株式会社钟根堂 2018-06-08 CN disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 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 (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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B HTT 1394/4885RAB9A 3597/4885NPC1 804/4885
US-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR HTT 3659/4885RAB9A 3880/4885NPC1 4467/4885

“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.