SCHEMBL16279555

SCHEMBL16279555

CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(Cc2cc([N+](=O)[O-])ccc2OC(=O)O)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HRH1 P35367 8/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ NR3C1 P04150 1/20 0.32
▸ GNRHR P30968 1/20 0.32
▸ MMP9 P14780 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
SCHEMBL16279551 1.00 MEN1 (0.34) MEN1KMT2ASMN1; SMN2RAB9ALMNA
SCHEMBL31108444 0.89 KMT2A (0.41) MEN1KMT2ASMN1; SMN2RAB9ACYP3A4
SCHEMBL17798538 0.88 FAP (0.40) MEN1KMT2AHRH1ALDH1A1L3MBTL1
SCHEMBL17798539 0.88 FAP (0.40) MEN1KMT2AHRH1ALDH1A1L3MBTL1
SCHEMBL17798537 0.88 FAP (0.40) MEN1KMT2AHRH1ALDH1A1L3MBTL1
SCHEMBL32667900 0.81 FAP (0.36) MEN1KMT2AHRH1ALDH1A1L3MBTL1
SCHEMBL16279554 0.81 HTR2A (0.45) MEN1KMT2ASMN1; SMN2RAB9ALMNA
SCHEMBL16410939 0.81 HTR2A (0.45) MEN1KMT2ASMN1; SMN2RAB9ALMNA
SCHEMBL16285134 0.81 HTR2A (0.45) MEN1KMT2ASMN1; SMN2RAB9ALMNA
SCHEMBL28957936 0.78 FAP (0.40) HRH1POLBMAPTGAA

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-20230077680-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2023-03-16 — — US disclosed
US-20200246460-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same ABBVIE INC (US) 2020-08-06 — — US disclosed
US-20180147294-A1 ANTIBODY-DRUG CONJUGATES, COMPOSITIONS AND METHODS OF USE IGENICA BIOTHERAPEUTICS, INC. 2018-05-31 — — US disclosed
US-20140363454-A1 Antibody-Drug Conjugates, Compositions and Methods of Use IGENICA BIOTHERAPEUTICS, INC. (US) 2014-12-11 — — 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 (4 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-20140363454-A1 Antibody-Drug Conjugates, Compositions and Methods of Use SDCBP, CD81, DSTN MEN1 597/4885KMT2A 1990/4885SMN1; SMN2 3426/4885
US-20200246460-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same BCL2, BAX, BCL9 MEN1 2794/4885KMT2A 2470/4885SMN1; SMN2 3212/4885
US-20180147294-A1 ANTIBODY-DRUG CONJUGATES, COMPOSITIONS AND METHODS OF USE SDCBP, CD81, DSTN MEN1 597/4885KMT2A 1990/4885SMN1; SMN2 3426/4885
US-20230077680-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES EGFR, ERBB2, ERBB3 MEN1 3881/4885KMT2A 1606/4885SMN1; SMN2 4757/4885

“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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