SCHEMBL21858424

SCHEMBL21858424

Cc1nc2c(F)c(F)ccc2cc1Oc1cccc(F)c1C=O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ERN1 O75460 2/20 0.31
▸ PTGER3 P43115 1/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ATM Q13315 1/20 0.30

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
SCHEMBL21858433 0.89 HTT (0.34) ALDH1A1HTTCYP1A2CYP2C9CYP2C19
SCHEMBL21858445 0.85 NPSR1 (0.46) ALDH1A1HTTCTSLCTSSCTSK
SCHEMBL26440720 0.83 PDE2A (0.34) ALDH1A1HTT
SCHEMBL18796398 0.81 MAP4K4 (0.34) ALDH1A1HTT
SCHEMBL18796008 0.81 ALDH1A1 (0.32) ALDH1A1HTTNPSR1
SCHEMBL20104491 0.80 KDM4E (0.38) ALDH1A1HTTKMT2AMEN1
SCHEMBL21858430 0.80 SMN1; SMN2 (0.48) ALDH1A1HTTERN1
SCHEMBL12489258 0.80 KMT2A (0.38) CYP1A2KMT2AMEN1ATM
SCHEMBL18796130 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL19901396 0.79 ALDH1A1 (0.30) ALDH1A1

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 ALDH1A1 1754/4885HTT 3777/4885CTSL 2145/4885

“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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