SCHEMBL12972568

SCHEMBL12972568

COc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(=O)NCc3ccc(C)cc3)cc2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ LMNA P02545 4/20 0.44
▸ HTT P42858 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ SGMS1 Q86VZ5 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL29454419 0.95 NPC1 (0.45) MEN1KMT2ANPC1LMNAALDH1A1
SCHEMBL15342341 0.92 LMNA (0.43) MEN1KMT2ANPC1LMNAHTT
SCHEMBL14007040 0.91 KMT2A (0.51) MEN1KMT2ANPC1LMNAHTT
SCHEMBL31749265 0.90 KMT2A (0.54) MEN1KMT2ANPC1LMNAHTT
SCHEMBL27214060 0.90 KMT2A (0.54) MEN1KMT2ANPC1LMNAHTT
SCHEMBL13379273 0.90 KMT2A (0.42) MEN1KMT2ANPC1ADAMTS5RAB9A
SCHEMBL25647249 0.89 ALDH1A1 (0.44) MEN1KMT2ANPC1LMNAHTT
SCHEMBL17190820 0.89 KMT2A (0.45) MEN1KMT2AALDH1A1GAAALOX12
SCHEMBL12568257 0.89 RAB9A (0.43) MEN1KMT2ANPC1LMNAHTT
SCHEMBL20586242 0.89 KMT2A (0.48) MEN1KMT2ANPC1LMNAHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 — — US disclosed
US-9394341-B2 Eptifibatide preparation method CHENGDU SHENGNUO BIOTEC CO., LTD. (CN) 2016-07-19 — — US disclosed
US-20150299261-A1 EPTIFIBATIDE PREPARATION METHOD CHENGDU SHENGNUO BIO TEC CO., LTD. (CN) 2015-10-22 — — US disclosed
US-8846411-B2 Derivatives, reagents, and immunoassay for detecting levetiracetam MICROGENICS CORPORATION (US) 2014-09-30 — — US disclosed
US-20100317024-A1 DERIVATIVES, REAGENTS, AND IMMUNOASSAY FOR DETECTING LEVETIRACETAM MICROGENICS CORPORATION 2010-12-16 — — 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 (3 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-20150299261-A1 EPTIFIBATIDE PREPARATION METHOD RXFP1, OGFR, RXFP3 MEN1 4111/4885KMT2A 3326/4885NPC1 4560/4885
US-20100317024-A1 DERIVATIVES, REAGENTS, AND IMMUNOASSAY FOR DETECTING LEVETIRACETAM EPM2A, IGLV6-57, LAMTOR3 MEN1 3801/4885KMT2A 1289/4885NPC1 4577/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC MEN1 2531/4885KMT2A 3283/4885NPC1 1905/4885

“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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