SCHEMBL23013953

SCHEMBL23013953

O=C(O)c1c(-c2ccccc2F)nn2ccc(N3CCCC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.40
▸ SMPD3 Q9NY59 4/20 0.38
▸ DGAT2 Q96PD7 1/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ PARP1 P09874 2/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ MAT2A P31153 1/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ HSD17B14 Q9BPX1 1/20 0.34

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
SCHEMBL29703795 1.00 MAOB (0.40) MAOBSMPD3DGAT2HIF1APARP1
SCHEMBL29703828 0.90 SMPD3 (0.41) SMPD3NPC1
SCHEMBL23014103 0.90 SMPD3 (0.41) SMPD3NPC1
SCHEMBL29939181 0.85 DGAT1 (0.45) NPC1
SCHEMBL25150706 0.85 DGAT1 (0.45) NPC1
SCHEMBL23013548 0.80 DHODH (0.41) PARP1
SCHEMBL29703800 0.80 DHODH (0.41) PARP1
SCHEMBL25150620 0.79 MAOB (0.41) MAOBSMPD3HIF1ASYKMAT2A
SCHEMBL20119340 0.78 SMPD3 (0.51) SMPD3PARP1SYK
SCHEMBL18817179 0.77 SMPD3 (0.52) SMPD3PARP1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634425-B2 Pharmaceutical compounds PFIZER INC. (US) 2023-04-25 — — US disclosed
US-11634425-B2 Pharmaceutical compounds PFIZER INC. (US) 2023-04-25 — — US disclosed
US-20220324873-A1 PHARMACEUTICAL COMPOUNDS PFIZER INC. 2022-10-13 — — US disclosed
EP-4017856-A1 PHARMACEUTICAL COMPOUNDS Reviral Limited (GB) 2022-06-29 — — EP disclosed
CN-114555604-A Pharmaceutical compounds 瑞威有限公司 2022-05-27 — — CN disclosed
WO-2021032992-A1 PHARMACEUTICAL COMPOUNDS ReViral Limited (GB) 2021-02-25 — — WO disclosed
WO-2021032992-A1 PHARMACEUTICAL COMPOUNDS ReViral Limited (GB) 2021-02-25 — — 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-11634425-B2 Pharmaceutical compounds GABRA6, CHRNA6, CNR1 MAOB 873/4885SMPD3 4665/4885DGAT2 4440/4885
US-20220324873-A1 PHARMACEUTICAL COMPOUNDS GABRA6, CNR1, CHRNA6 MAOB 1333/4885SMPD3 4677/4885DGAT2 4520/4885

“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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