SCHEMBL20182695

SCHEMBL20182695

Cc1ccc(Cc2ncccc2C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ CYP2A6 P11509 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35

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
SCHEMBL30876968 0.79 MET (0.45) KEAP1NFE2L2NOS3NOS1NOS2
SCHEMBL19512760 0.79 MET (0.45) KEAP1NFE2L2NOS3NOS1NOS2
SCHEMBL3974907 0.78 ADRA2C (0.43) KEAP1NFE2L2DAOLMNANOS3
SCHEMBL1445833 0.76 CYP2A6 (0.46) LMNAHTTNOS3NOS1NOS2
SCHEMBL22584046 0.75 NOS3 (0.45) KEAP1NFE2L2DAONOS3NOS1
SCHEMBL12011959 0.75 HTR1D (0.44) KEAP1NFE2L2LMNAHTTRAB9A
SCHEMBL24440747 0.73 KMT2A (0.37) KEAP1NFE2L2DAOLMNAHTT
SCHEMBL311076 0.73 ESR1 (0.61) LMNAHTTESR1ESR2RAB9A
SCHEMBL30876036 0.73 ESR1 (0.61) LMNAHTTESR1ESR2RAB9A
SCHEMBL31371688 0.73 ESR1 (0.61) LMNAHTTESR1ESR2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 — — US 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-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A KEAP1 3421/4885NFE2L2 1077/4885DAO 348/4885

“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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