SCHEMBL11922565

SCHEMBL11922565

COC(=O)c1cc(Oc2ccc(CCl)cc2C(F)(F)F)ccc1N(C(=O)c1ccc(Cl)cn1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MCOLN3 Q8TDD5 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ P2RX3 P56373 3/20 0.34
▸ APLNR P35414 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ EPAS1 Q99814 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ RET P07949 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ PDGFRA P16234 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
SCHEMBL11922564 0.94 MRGPRX4 (0.38) MRGPRX4NPSR1KDM4EALDH1A1POLB
SCHEMBL11922618 0.89 LMNA (0.35) MRGPRX4NPSR1KDM4EALDH1A1POLB
SCHEMBL11922559 0.89 MRGPRX4 (0.38) MRGPRX4NPSR1KDM4EALDH1A1POLB
SCHEMBL11922563 0.88 MRGPRX4 (0.35) MRGPRX4NPSR1KDM4EALDH1A1POLB
SCHEMBL11922617 0.85 LMNA (0.35) MRGPRX4NPSR1KDM4EALDH1A1POLB
SCHEMBL11922557 0.82 MRGPRX4 (0.38) MRGPRX4NPSR1KDM4EALDH1A1POLB
SCHEMBL11922619 0.81 NPSR1 (0.34) MRGPRX4NPSR1KDM4EALDH1A1POLB
SCHEMBL11922612 0.81 SCN9A (0.35) MRGPRX4NPSR1KDM4EALDH1A1POLB
SCHEMBL13122977 0.79 ESRRA (0.34) MRGPRX4ALDH1A1POLBTDP1ESRRA
SCHEMBL13107303 0.78 ESRRA (0.34) MRGPRX4TDP1ESRRA

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-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 — — US disclosed
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 — — US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — 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 (1 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-20100190779-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E MRGPRX4 2725/4885NPSR1 2674/4885KDM4E 3158/4885

“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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