Sugi Predict

Sugi Predict / Compounds / SCHEMBL9904153

SCHEMBL9904153

SCHEMBL9904153

O=C1NCCCc2c1oc1ccc(O)c(F)c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.59
▸ PRKD1 Q15139 4/20 0.59
▸ LMNA P02545 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ TP53 P04637 1/20 0.59
▸ CDK5 Q00535 1/20 0.59
▸ CDK5R1 Q15078 1/20 0.59
▸ PRKD2 Q9BZL6 1/20 0.59
▸ HSD17B10 Q99714 4/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ GFER P55789 1/20 0.55
▸ ACHE P22303 1/20 0.36
▸ PARP1 P09874 2/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ GAA P10253 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ GLA P06280 3/20 0.32
▸ HPGD P15428 3/20 0.32

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
SCHEMBL9904377 0.84 ALDH1A1 (0.59) ALDH1A1PRKD1LMNAHTTL3MBTL1
SCHEMBL15466198 0.80 PRKD1 (0.54) ALDH1A1PRKD1LMNAHTTL3MBTL1
SCHEMBL9920468 0.79 ALDH1A1 (0.53) ALDH1A1PRKD1LMNAHTTL3MBTL1
SCHEMBL15466199 0.79 ALDH1A1 (0.53) ALDH1A1PRKD1LMNAHTTL3MBTL1
SCHEMBL9904056 0.78 PRKD1 (0.52) ALDH1A1PRKD1LMNAHTTL3MBTL1
SCHEMBL9904268 0.74 PRKD1 (1.00) ALDH1A1PRKD1LMNAHTTL3MBTL1
SCHEMBL31060198 0.74 PRKD1 (1.00) ALDH1A1PRKD1LMNAHTTL3MBTL1
SCHEMBL9904151 0.71 ALDH1A1 (0.62) ALDH1A1PRKD1LMNAHTTL3MBTL1
SCHEMBL9904150 0.70 PRKD1 (1.00) ALDH1A1PRKD1LMNAHTTL3MBTL1
SCHEMBL15465752 0.70 ALDH1A1 (0.66) ALDH1A1PRKD1LMNAHTTL3MBTL1

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 4548/4885PRKD1 2/4885LMNA 3108/4885

“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.