SCHEMBL21580049

SCHEMBL21580049

O=C(NCc1cccc(OCc2ccccc2F)c1)c1ccn2ccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.49
▸ MMP13 P45452 2/20 0.45
▸ CYP2D6 P10635 3/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ROCK2 O75116 3/20 0.43
▸ ROCK1 Q13464 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ SENP1 Q9P0U3 1/20 0.42
▸ SPHK2 Q9NRA0 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL21580112 0.91 NAMPT (0.52) NAMPTCYP2C9NPC1RAB9AHDAC1
SCHEMBL21580052 0.89 NAMPT (0.44) NAMPTNPC1ROCK2HDAC1TP53
SCHEMBL23692096 0.88 NPC1 (0.43) MMP13CYP2D6CYP2C9NPC1RAB9A
SCHEMBL21580040 0.87 MLLT1 (0.45) MMP13CYP2D6CYP2C9NPC1RAB9A
SCHEMBL21580069 0.86 MAPT (0.43) MMP13CYP2D6CYP2C9NPC1RAB9A
SCHEMBL21580065 0.84 NPC1 (0.43) MMP13CYP2D6CYP2C9NPC1RAB9A
SCHEMBL21580035 0.84 NAMPT (0.47) NAMPTMMP13CYP2D6CYP2C9NPC1
SCHEMBL21580092 0.83 NAMPT (0.47) NAMPTMMP13CYP2D6CYP2C9NPC1
SCHEMBL23691877 0.83 F2 (0.43) CYP2D6CYP2C9NPC1RAB9ACYP1A2
SCHEMBL21580073 0.83 PLAU (0.45) MMP13CYP2D6CYP2C9NPC1RAB9A

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 NAMPT 2153/4885MMP13 4253/4885CYP2D6 3005/4885
US-11384085-B2 Modulators of ion channel receptors and uses thereof TRPV1, TRPM8, TRPV2 NAMPT 2153/4885MMP13 4253/4885CYP2D6 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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