SCHEMBL19475330

SCHEMBL19475330

C[Si](C)(C)CCOCOc1ccccc1C(=O)N1C=C(F)CC1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.34
▸ LMNA P02545 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA5 P08648 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ PTK2B Q14289 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ BCHE P06276 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ TSHR P16473 1/20 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
SCHEMBL19475329 1.00 HTT (0.36) HTTTDP1NPSR1LMNAKDM4E
SCHEMBL19505917 0.90 HTT (0.35) HTTTDP1NPSR1LMNAKDM4E
SCHEMBL19475315 0.89 KDM4E (0.36) HTTTDP1NPSR1LMNAKDM4E
SCHEMBL19475313 0.89 KDM4E (0.36) HTTTDP1NPSR1LMNAKDM4E
SCHEMBL19475845 0.83 MEN1 (0.35) NPSR1LMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL19475844 0.83 MEN1 (0.35) NPSR1LMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL19475398 0.82 NPSR1 (0.38) HTTTDP1NPSR1LMNAKDM4E
SCHEMBL19475396 0.82 NPSR1 (0.38) HTTTDP1NPSR1LMNAKDM4E
SCHEMBL19506084 0.80 KDM4E (0.35) HTTTDP1NPSR1LMNAKDM4E
SCHEMBL19505796 0.79 MEN1 (0.34) LMNAKMT2AMEN1

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-10647671-B2 Promysalin analogues and methods of use thereof Temple University—Of the Commonwealth System of Higher Education (US) 2020-05-12 — — US disclosed
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof Temple University--of the Commonwealth System of Higher Education 2019-05-30 — — US disclosed
WO-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 — — 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 (2 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-10647671-B2 Promysalin analogues and methods of use thereof CCL11, MAN2A1, PREP HTT 2890/4885TDP1 1543/4885NPSR1 143/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 HTT 3031/4885TDP1 1747/4885NPSR1 209/4885

“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.

Send feedback