Sugi Predict

Sugi Predict / Compounds / SCHEMBL9904377

SCHEMBL9904377

SCHEMBL9904377

O=C1NCCCc2c1oc1ccc(O)c(Cl)c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.59
▸ HTT P42858 5/20 0.59
▸ PRKD1 Q15139 4/20 0.59
▸ LMNA P02545 4/20 0.59
▸ TP53 P04637 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ CDK5 Q00535 1/20 0.59
▸ CDK5R1 Q15078 1/20 0.59
▸ PRKD2 Q9BZL6 1/20 0.59
▸ HSD17B10 Q99714 5/20 0.55
▸ MAPT P10636 3/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ GFER P55789 1/20 0.55
▸ ACHE P22303 1/20 0.36
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ GAA P10253 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33

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
SCHEMBL9904153 0.84 ALDH1A1 (0.59) ALDH1A1HTTPRKD1LMNATP53
SCHEMBL9904090 0.82 PRKD1 (0.58) ALDH1A1HTTPRKD1LMNATP53
SCHEMBL9904151 0.82 ALDH1A1 (0.62) ALDH1A1HTTPRKD1LMNATP53
SCHEMBL15466198 0.80 PRKD1 (0.54) ALDH1A1HTTPRKD1LMNATP53
SCHEMBL9920468 0.79 ALDH1A1 (0.53) ALDH1A1HTTPRKD1LMNATP53
SCHEMBL15466199 0.79 ALDH1A1 (0.53) ALDH1A1HTTPRKD1LMNATP53
SCHEMBL9904056 0.78 PRKD1 (0.52) ALDH1A1HTTPRKD1LMNATP53
SCHEMBL9904222 0.75 ALDH1A1 (0.44) ALDH1A1HTTPRKD1LMNATP53
SCHEMBL9904284 0.75 ALDH1A1 (0.64) ALDH1A1HTTPRKD1LMNATP53
SCHEMBL9904268 0.74 PRKD1 (1.00) ALDH1A1HTTPRKD1LMNATP53

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 8 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-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
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 — — US disclosed
WO-2012078859-A2 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-06-14 — — WO disclosed
WO-2012078859-A2 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-06-14 — — WO 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 ALDH1A1 4548/4885HTT 2479/4885PRKD1 2/4885

“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.