SCHEMBL19148598

SCHEMBL19148598

COc1ccc2c(C(F)F)cc(C(F)F)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MPO P05164 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ APP P05067 4/20 0.38
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37

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
SCHEMBL19148973 0.88 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19149253 0.82 NPC1 (0.38) SMN1; SMN2NPC1LMNARAB9ACYP1A2
SCHEMBL19148578 0.81 NT5E (0.48) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19148959 0.77 ACHE (0.36) KDM4EKMT2AMPOACHEL3MBTL1
SCHEMBL19150086 0.77 POLB (0.43) ALDH1A1MEN1KMT2APOLBMPO
SCHEMBL19148203 0.75 APP (0.44) KDM4EAPPL3MBTL1EGFR
SCHEMBL19150089 0.73 KDM4E (0.39) KDM4E
SCHEMBL3291837 0.73 TDP1 (0.43) KDM4EALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL26400644 0.70 NPSR1 (0.51) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19148196 0.70 DHODH (0.42) KDM4ESMN1; SMN2NPC1LMNARAB9A

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-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-23 — — US disclosed
US-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 — — US disclosed
EP-3405458-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES Bayer CropScience Aktiengesellschaft (DE) 2018-11-28 — — EP disclosed
WO-2017125318-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-27 — — 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 (2 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-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES KCNQ1, KCNQ2, KCNQ4 KDM4E 420/4885ALDH1A1 2539/4885SMN1; SMN2 4604/4885
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines KCNQ1, KCNQ2, KCNQ4 KDM4E 420/4885ALDH1A1 2539/4885SMN1; SMN2 4604/4885

“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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