SCHEMBL334377

SCHEMBL334377

CCOc1ccc(C(C)N(CC)CCN)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.44
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ACACB O00763 5/20 0.37
PARP10 Q53GL7 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
LMNA P02545 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ACACA Q13085 1/20 0.36

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
SCHEMBL334241 0.86 ALOX5 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL4450105 0.83 ALOX5 (0.56) SMN1; SMN2
SCHEMBL335352 0.80 ALOX5 (0.42) TSHRCA7
SCHEMBL335097 0.79 ADRB2 (0.42) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL335079 0.79 TAAR1 (0.42) TSHRTDP1ALDH1A1SMN1; SMN2CA2
SCHEMBL334958 0.79 ALOX5 (0.44) KDM4EALDH1A1LMNA
SCHEMBL334729 0.79 ROCK1 (0.39) MEN1KMT2A
SCHEMBL335260 0.78 HRH1 (0.45) TSHR
SCHEMBL334298 0.76 SMN1; SMN2 (0.34) TSHRSMN1; SMN2LMNA
SCHEMBL10243580 0.76 ACACB (0.49) ALDH1A1SMN1; SMN2ACACBLMNAACACA

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-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 NQO1 3099/4885TSHR 1567/4885TDP1 2672/4885

“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.