SCHEMBL4282176

SCHEMBL4282176

COC(=O)c1ccc2c(c1)n(CCC(C)C)c(=O)n2CCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.50
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 3/20 0.43
HPD P32754 9/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CNR1 P21554 1/20 0.41
CASP3 P42574 1/20 0.41
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL4285933 0.85 SLC22A12 (0.49) CNR2ALDH1A1KDM4EHPDHPGD
SCHEMBL5837327 0.81 KDM4E (0.58) ALDH1A1TSHRKDM4EHPDHSD17B10
SCHEMBL474587 0.77 MAPT (0.48) ALDH1A1SMN1; SMN2TSHRKDM4EHPGD
SCHEMBL6216920 0.75 CNR2 (0.68) CNR2KDM4ECNR1
SCHEMBL6220202 0.74 CNR2 (0.67) CNR2KDM4ECNR1
SCHEMBL7539164 0.73 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2TSHRKDM4EHSD17B10
SCHEMBL6218696 0.73 CNR2 (0.48) CNR2ALDH1A1SMN1; SMN2TSHR
SCHEMBL24815337 0.72 HPD (0.52) ALDH1A1SMN1; SMN2KDM4EHPDHPGD
SCHEMBL30048876 0.72 HPD (0.52) ALDH1A1SMN1; SMN2KDM4EHPDHPGD
SCHEMBL4285984 0.71 SMN1; SMN2 (0.38) CNR2ALDH1A1SMN1; SMN2TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 CNR2 3182/4885ALDH1A1 2031/4885SMN1; SMN2 2947/4885

“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.