SCHEMBL3987143

SCHEMBL3987143

COC(=O)c1c(N)c(Br)cc2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ HSD17B10 Q99714 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ ACHE P22303 4/20 0.39
▸ USP2 O75604 3/20 0.38
▸ POLB P06746 1/20 0.36
▸ NLRP3 Q96P20 1/20 0.36
▸ MAPK1 P28482 1/20 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
SCHEMBL6168604 0.84 TLR2 (0.40) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL6603121 0.84 USP2 (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2NFKB1
SCHEMBL5183246 0.82 MEN1 (0.39) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL29284884 0.81 USP2 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2NFKB1
SCHEMBL3980109 0.74 METAP2 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL16750519 0.73 USP2 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL21626290 0.72 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL30888512 0.72 NLRP3 (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL30888503 0.72 USP2 (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL5197942 0.72 HSD17B10 (0.44) ALDH1A1KDM4EMAPTHSD17B10HPGD

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-7491718-B2 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES (US) 2009-02-17 — — US disclosed
US-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity ABBVIE INC. 2004-08-26 — — US disclosed
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES 2004-08-12 — — 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 (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-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP ALDH1A1 3463/4885KDM4E 2363/4885MAPT 3230/4885
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP ALDH1A1 3463/4885KDM4E 2363/4885MAPT 3230/4885

“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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