SCHEMBL19475845

SCHEMBL19475845

CCCC[Sn](CCCC)(CCCC)C1=CN(C(=O)c2ccccc2OCOCC[Si](C)(C)C)C(C(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ CNR1 P21554 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
SCHEMBL19475844 1.00 MEN1 (0.35) MEN1KMT2ALMNAMAPTNR1I2
SCHEMBL19475313 0.84 KDM4E (0.36) MEN1KMT2ALMNAL3MBTL1NPSR1
SCHEMBL19475315 0.84 KDM4E (0.36) MEN1KMT2ALMNAL3MBTL1NPSR1
SCHEMBL19475329 0.83 HTT (0.36) MEN1KMT2ALMNAL3MBTL1NPSR1
SCHEMBL19475330 0.83 HTT (0.36) MEN1KMT2ALMNAL3MBTL1NPSR1
SCHEMBL19475398 0.78 NPSR1 (0.38) MEN1KMT2ALMNAL3MBTL1NPSR1
SCHEMBL19475396 0.78 NPSR1 (0.38) MEN1KMT2ALMNAL3MBTL1NPSR1
SCHEMBL19506084 0.75 KDM4E (0.35) MEN1KMT2ALMNAL3MBTL1NPSR1
SCHEMBL19505917 0.75 HTT (0.35) MEN1KMT2ALMNAL3MBTL1NPSR1
SCHEMBL19505780 0.73 ATM (0.37) MEN1KMT2ANPSR1TSHRTP53

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 MEN1 443/4885KMT2A 1988/4885LMNA 2493/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 MEN1 484/4885KMT2A 2088/4885LMNA 2614/4885

“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.

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