SCHEMBL17064215

SCHEMBL17064215

CCc1ccccc1C(=O)Nc1ncn(-c2c(F)cccc2Br)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPC1 O15118 4/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ TP53 P04637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ F2R P25116 4/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ATM Q13315 1/20 0.35
▸ GLA P06280 1/20 0.35

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
SCHEMBL17073933 0.92 KMT2A (0.44) SMN1; SMN2RAB9ATSHRNPC1KMT2A
SCHEMBL17064212 0.83 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ATP53LMNARXFP1
SCHEMBL17064207 0.82 MEN1 (0.40) SMN1; SMN2RAB9ANPC1KMT2ALMNA
SCHEMBL17064208 0.77 KDR (0.45) SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL17064211 0.75 LMNA (0.45) KMT2ATP53LMNARXFP1F2R
SCHEMBL17073927 0.74 MEN1 (0.44) SMN1; SMN2RAB9ANPC1KMT2ALMNA
SCHEMBL17064201 0.68 KCNK3 (0.44) SMN1; SMN2RAB9ANPC1KMT2ALMNA
SCHEMBL17064199 0.65 ADORA2A (0.31) WNT3A
SCHEMBL19313282 0.62 NPC1 (0.47) SMN1; SMN2RAB9ATSHRNPC1KMT2A
SCHEMBL27348350 0.62 LMNA (0.66) SMN1; SMN2RAB9ANPC1KMT2ATP53

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
EP-3113618-B1 HETEROCYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-04 — — EP 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
EP-3113618-A1 HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2017-01-11 — — EP 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 SMN1; SMN2 2195/4885RAB9A 1144/4885TSHR 3119/4885

“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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