SCHEMBL15465838

SCHEMBL15465838

O=C1NCCCc2c1[nH]c1ccc(OCc3ccccc3)cc21

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 1/20 0.60
KDM4E B2RXH2 3/20 0.56
HPGD P15428 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
MAPKAPK2 P49137 1/20 0.53
MAOB P27338 3/20 0.52
MAOA P21397 1/20 0.52
CTSV O60911 2/20 0.51
CTSL P07711 2/20 0.51
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL9904190 0.93 KDM4E (0.65) PRKD1KDM4EHPGDALDH1A1MAPT
SCHEMBL9920131 0.82 KDM4E (0.61) PRKD1KDM4EHPGDALDH1A1MAPT
SCHEMBL6236714 0.80 KDM4E (0.85) PRKD1KDM4EHPGDALDH1A1MAPT
Hydrochloric Acid SCHEMBL6351333 0.79 KDM4E (0.83) PRKD1KDM4EHPGDALDH1A1MAPT
SCHEMBL18946318 0.78 MEN1 (0.54) KDM4EHPGDALDH1A1MAPTMAPKAPK2
SCHEMBL8316089 0.77 MAPKAPK2 (0.55) MAPTMAPKAPK2MAOBMAOACTSV
SCHEMBL8316102 0.77 MAPKAPK2 (0.55) MAPTMAPKAPK2MAOBMAOACTSV
SCHEMBL6882020 0.76 KDM4E (0.81) PRKD1KDM4EHPGDALDH1A1MAPT
SCHEMBL5708518 0.76 MAOA (0.51) MAPKAPK2MAOBMAOACTSVCTSL
SCHEMBL9920629 0.76 PRKD1 (1.00) PRKD1KDM4EHPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 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 (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-20140045821-A1 PROTEIN KINASE D INHIBITORS PRKCD, PRKD1, PRKD2 PRKD1 2/4885KDM4E 1875/4885HPGD 1978/4885

“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.