SCHEMBL1132872

SCHEMBL1132872

CCN(CCN)Cc1c[nH]c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.77
KDM4E B2RXH2 2/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
HSD17B10 Q99714 2/20 0.77
MAPT P10636 1/20 0.77
HPGD P15428 1/20 0.77
HTR6 P50406 3/20 0.64
HTR1A P08908 3/20 0.64
HTR2A P28223 5/20 0.59
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
HTR2C P28335 3/20 0.55
MPO P05164 2/20 0.55
HTR1D P28221 2/20 0.55
CYP1A2 P05177 1/20 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
SCHEMBL1027348 0.88 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL12610324 0.82 ALDH1A1 (0.71) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL9732946 0.81 KMT2A (0.79) ALDH1A1KDM4EMEN1KMT2AHSD17B10
Diethyltryptamine SCHEMBL517713 0.78 HTR1A (1.00) ALDH1A1KDM4EMEN1KMT2AHSD17B10
Diethyltryptamine SCHEMBL22462319 0.77 HTR1A (0.97) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL22619123 0.76 ALDH1A1 (0.73) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL22027268 0.75 HTR2A (1.00) ALDH1A1KDM4EMEN1KMT2AHSD17B10
Tryptamine SCHEMBL22800107 0.74 HTR2A (0.77) ALDH1A1KDM4EMEN1KMT2AHSD17B10
Gramine SCHEMBL63578 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2AHSD17B10
Gramine SCHEMBL29351803 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2AHSD17B10

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 ALDH1A1 3050/4885KDM4E 60/4885MEN1 3582/4885

“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.