SCHEMBL21580065

SCHEMBL21580065

O=C(NCc1cccc(OCc2ccccc2F)c1)c1ccn2ncnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ EGLN2 Q96KS0 1/20 0.43
▸ MMP13 P45452 1/20 0.42
▸ ROCK2 O75116 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ SENP1 Q9P0U3 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SPHK2 Q9NRA0 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL21580141 0.91 SCN3A (0.48) NPC1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL21580075 0.89 HPGD (0.42) NPC1ROCK2ROCK1LMNAHPGD
SCHEMBL21580041 0.88 NAMPT (0.45) NPC1RAB9ACYP2D6CYP2C9CYP1A2
SCHEMBL21580092 0.86 NAMPT (0.47) NPC1RAB9ACYP2D6CYP2C9CYP1A2
SCHEMBL21580049 0.84 NAMPT (0.49) NPC1RAB9ACYP2D6CYP2C9CYP1A2
SCHEMBL23692096 0.84 NPC1 (0.43) NPC1RAB9ACYP2D6CYP2C9CYP1A2
SCHEMBL21580040 0.83 MLLT1 (0.45) NPC1RAB9ACYP2D6CYP2C9CYP1A2
SCHEMBL21580037 0.82 EGLN2 (0.43) NPC1RAB9ACYP2D6CYP2C9CYP1A2
SCHEMBL21580073 0.82 PLAU (0.45) NPC1RAB9ACYP2D6CYP2C9CYP1A2
SCHEMBL21580033 0.82 KDM4E (0.41) NPC1RAB9AROCK1SMN1; SMN2LMNA

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 NPC1 1634/4885RAB9A 1974/4885CYP2D6 3005/4885
US-11384085-B2 Modulators of ion channel receptors and uses thereof TRPV1, TRPM8, TRPV2 NPC1 1634/4885RAB9A 1974/4885CYP2D6 3005/4885

“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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