SCHEMBL17073933

SCHEMBL17073933

CCc1ccccc1C(=O)Nc1ncn(-c2c(F)cccc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ TP53 P04637 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ F2R P25116 2/20 0.41
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GLA P06280 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL17064215 0.92 SMN1; SMN2 (0.43) KMT2ATP53LMNARXFP1F2R
SCHEMBL17064208 0.83 KDR (0.45) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL17064211 0.81 LMNA (0.45) KMT2ATP53LMNARXFP1F2R
SCHEMBL17073927 0.80 MEN1 (0.44) KMT2ALMNARXFP1RAB9ANPC1
SCHEMBL17064212 0.75 SMN1; SMN2 (0.46) KMT2ATP53LMNARXFP1F2R
SCHEMBL17064201 0.71 KCNK3 (0.44) KMT2ALMNARAB9ANPC1SMN1; SMN2
SCHEMBL19313282 0.66 NPC1 (0.47) KMT2ALMNAF2RRAB9ANPC1
SCHEMBL27348350 0.66 LMNA (0.66) KMT2ATP53LMNAF2RRAB9A
SCHEMBL22060171 0.65 MAPK1 (0.66) KMT2ALMNARAB9ANPC1SMN1; SMN2
SCHEMBL2726850 0.65 MEN1 (0.65) KMT2ATP53RXFP1RAB9ANPC1

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-9920017-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-20 — — US disclosed
US-9920017-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-20 — — US disclosed
US-20170073318-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-16 — — US disclosed
US-20170073318-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-16 — — US disclosed
WO-2015132313-A1 HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2015-09-11 — — 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 (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-20170073318-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS KMT2A 2577/4885TP53 4412/4885LMNA 1992/4885

“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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