SCHEMBL25989646

SCHEMBL25989646

Nc1ccc2oc(-c3ccc(CF)cc3)nc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 16/20 0.74
▸ NPC1 O15118 15/20 0.74
▸ GFER P55789 3/20 0.74
▸ RXFP1 Q9HBX9 2/20 0.74
▸ MAPT P10636 11/20 0.67
▸ KDM4E B2RXH2 9/20 0.67
▸ SMN1; SMN2 Q16637 9/20 0.67
▸ ALDH1A1 P00352 8/20 0.67
▸ TP53 P04637 7/20 0.67
▸ HSD17B10 Q99714 4/20 0.67
▸ NFKB1 P19838 2/20 0.67
▸ NFKB2 Q00653 2/20 0.67
▸ RELA Q04206 2/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ MEN1 O00255 8/20 0.66
▸ KMT2A Q03164 8/20 0.66
▸ HPGD P15428 4/20 0.66
▸ PIK3CB P42338 1/20 0.64
▸ CASP3 P42574 1/20 0.62
▸ GAA P10253 2/20 0.56

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
SCHEMBL2488592 0.87 RAB9A (0.96) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL30296348 0.87 RAB9A (0.96) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL1852701 0.86 RAB9A (1.00) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL29404722 0.86 RAB9A (1.00) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL31696797 0.86 RAB9A (0.93) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL2242531 0.85 RAB9A (0.84) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL14028956 0.82 NPC1 (0.78) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL2697521 0.81 RAB9A (0.84) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL29556075 0.81 RAB9A (0.84) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL2489776 0.80 RAB9A (0.81) RAB9ANPC1GFERRXFP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233531-A1 USE OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS FOR TREATMENT OF INFLAMMATION UNIVERSITY OF HOUSTON SYSTEM 2023-07-27 — — US disclosed
US-20230233531-A1 USE OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS FOR TREATMENT OF INFLAMMATION UNIVERSITY OF HOUSTON SYSTEM 2023-07-27 — — 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-20230233531-A1 USE OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS FOR TREATMENT OF INFLAMMATION PTGES, PTGES2, PTGES3 RAB9A 4016/4885NPC1 1269/4885GFER 3377/4885

“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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