SCHEMBL21580038

SCHEMBL21580038

O=C(NCc1cccc(OCc2ccccc2F)c1)c1cccn2cncc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CCR1 P32246 1/20 0.40
▸ ROCK1 Q13464 3/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ SGMS2 Q8NHU3 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL21580094 0.90 SCN3A (0.49) KDM4EALDH1A1TP53RAB9ASGMS2
SCHEMBL21580081 0.89 MAPT (0.43) ALDH1A1HPGDTP53ROCK1KMT2A
SCHEMBL21580057 0.85 TP53 (0.42) KDM4EALDH1A1HPGDUSP2TP53
SCHEMBL23691868 0.84 HPGD (0.42) KDM4EALDH1A1HPGDUSP2TP53
SCHEMBL21580035 0.83 NAMPT (0.47) KDM4EHPGDTP53THRBROCK1
SCHEMBL21580036 0.82 NAMPT (0.52) HPGDTP53THRBROCK1RAB9A
SCHEMBL21580033 0.82 KDM4E (0.41) KDM4EALDH1A1HPGDUSP2TP53
SCHEMBL21580066 0.81 TP53 (0.47) KDM4EALDH1A1HPGDUSP2TP53
SCHEMBL21580055 0.81 KDM4E (0.48) KDM4EALDH1A1TP53THRBRAB9A
SCHEMBL21580071 0.80 LIPG (0.47) KDM4EALDH1A1HPGDUSP2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384085-B2 Modulators of ion channel receptors and uses thereof BIONOMICS LIMITED (AU) 2022-07-12 — — US disclosed
US-20210230165-A1 MODULATORS OF ION CHANNEL RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2021-07-29 — — US disclosed
WO-2019218025-A1 MODULATORS OF ION CHANNEL RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-21 — — 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-20210230165-A1 MODULATORS OF ION CHANNEL RECEPTORS AND USES THEREOF TRPV1, TRPM8, TRPV2 KDM4E 4014/4885ALDH1A1 3010/4885HPGD 1161/4885
US-11384085-B2 Modulators of ion channel receptors and uses thereof TRPV1, TRPM8, TRPV2 KDM4E 4014/4885ALDH1A1 3010/4885HPGD 1161/4885

“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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