SCHEMBL1132864

SCHEMBL1132864

CCN(CCN)C(C)c1cccc2c1ccn2C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
RHEB Q15382 1/20 0.36
NQO2 P16083 1/20 0.35
TRPV3 Q8NET8 1/20 0.34
HSD11B1 P28845 4/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ASH1L Q9NR48 1/20 0.32
PTPN1 P18031 1/20 0.30

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
SCHEMBL12565761 0.82 TRPV3 (0.32) RHEBNQO2TRPV3HSD11B1
SCHEMBL12608437 0.76 HTR2C (0.37) IDO1RHEBNQO2TRPV3HSD11B1
SCHEMBL335812 0.76 AOC3 (0.41) ALDH1A1
SCHEMBL1132888 0.74 TRPV3 (0.41) IDO1RHEBNQO2TRPV3HSD11B1
SCHEMBL1133167 0.72 HTR2C (0.38) HTR2AHTR2CKDM4EALDH1A1
SCHEMBL12609257 0.72 HTR2C (0.36) IDO1RHEBNQO2TRPV3HSD11B1
SCHEMBL28456100 0.72 NQO2 (0.46) IDO1RHEBNQO2TRPV3HSD11B1
SCHEMBL3926166 0.72 NQO2 (0.46) IDO1RHEBNQO2TRPV3HSD11B1
SCHEMBL30238680 0.72 NQO2 (0.46) IDO1RHEBNQO2TRPV3HSD11B1
SCHEMBL13868225 0.72 NQO2 (0.46) IDO1RHEBNQO2TRPV3HSD11B1

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-8299035-B2 10a-azalide compound having 4-membered ring structure TAISHO PHARMACEUTUCAL CO., LTD. (JP) 2012-10-30 US disclosed
US-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 US disclosed
EP-2287173-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE Taisho Pharmaceutical Co., Ltd. (JP) 2011-02-23 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-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE ELOVL3, ELOVL5, SCD5 IDO1 3310/4885RHEB 3298/4885NQO2 2094/4885

“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.