SCHEMBL17854870

SCHEMBL17854870

CCC1(C)CC(C)c2c(NC(=O)c3cccnc3C(F)F)cccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ KDR P35968 2/20 0.36
▸ MAPT P10636 2/20 0.34
▸ CNR1 P21554 5/20 0.34
▸ CNR2 P34972 5/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.33

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
SCHEMBL17854872 0.90 KDM4E (0.39) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL21359712 0.88 ALDH1A1 (0.45) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29372054 0.88 ALDH1A1 (0.45) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29351971 0.88 ALDH1A1 (0.45) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL17854883 0.88 ALDH1A1 (0.45) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL17854885 0.88 ALDH1A1 (0.45) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20429878 0.84 IRAK4 (0.39) IRAK4
SCHEMBL23888788 0.84 ALDH1A1 (0.39) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL17854876 0.82 KDM4E (0.40) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20550535 0.82 KDM4E (0.40) L3MBTL1ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10194659-B2 Active compound combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-05 — — US disclosed
WO-2018046431-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-15 — — WO disclosed
US-20180035670-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-02-08 — — US disclosed
US-20180035670-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-02-08 — — US disclosed
US-20170349550-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-07 — — US disclosed
US-20170349550-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-07 — — US disclosed
US-20170339953-A1 Active Compound Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-30 — — US disclosed
US-20170339953-A1 Active Compound Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-30 — — US disclosed
US-20170325452-A1 Active compound combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 — — US disclosed
US-20170325452-A1 Active compound combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 — — US disclosed
WO-2016096944-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-23 — — WO disclosed
WO-2016097003-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-23 — — WO disclosed
WO-2016096849-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-23 — — 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 (5 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-20170339953-A1 Active Compound Combinations NNMT, NNT, NQO2 L3MBTL1 3856/4885ALDH1A1 1111/4885KDM4E 1832/4885
US-20170349550-A1 ACTIVE COMPOUND COMBINATIONS NNMT, NNT, NQO2 L3MBTL1 3856/4885ALDH1A1 1111/4885KDM4E 1832/4885
US-20170325452-A1 Active compound combinations NNMT, NNT, NQO2 L3MBTL1 3856/4885ALDH1A1 1111/4885KDM4E 1832/4885
US-20180035670-A1 ACTIVE COMPOUND COMBINATIONS NNMT, NNT, NQO2 L3MBTL1 3856/4885ALDH1A1 1111/4885KDM4E 1832/4885
US-10194659-B2 Active compound combinations NNMT, NNT, NQO2 L3MBTL1 3856/4885ALDH1A1 1111/4885KDM4E 1832/4885

“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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