SCHEMBL21858445

SCHEMBL21858445

Cc1nc2c(F)c(F)ccc2cc1Oc1ccccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.46
▸ LMNA P02545 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 7/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CTSL P07711 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ SRC P12931 1/20 0.33
▸ ERN1 O75460 2/20 0.33
▸ TSHR P16473 1/20 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
SCHEMBL21858424 0.85 ALDH1A1 (0.33) NPSR1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL18796251 0.82 LMNA (0.39) NPSR1LMNAKMT2AALDH1A1CTSL
SCHEMBL26440720 0.80 PDE2A (0.34) LMNAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL18796250 0.79 L3MBTL1 (0.47) LMNAKMT2AGAAALDH1A1HTT
SCHEMBL18796108 0.79 LMNA (0.32) LMNAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL18796008 0.78 ALDH1A1 (0.32) NPSR1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL18796398 0.78 MAP4K4 (0.34) LMNAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL18796110 0.78 SLC6A4 (0.36) LMNACTSLCTSSCTSKHTT
SCHEMBL20104491 0.77 KDM4E (0.38) LMNAKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL12489258 0.77 KMT2A (0.38) KMT2AGAACYP1A2ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210378240-A1 OXETANYLPHENOXYQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2021-12-09 — — US disclosed
WO-2020079232-A1 OXETANYLPHENOXYQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-23 — — 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 (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-20210378240-A1 OXETANYLPHENOXYQUINOLINES AND ANALOGUES CBR3, CYP4X1, AOX1 NPSR1 4500/4885LMNA 4265/4885KMT2A 1481/4885

“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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