SCHEMBL27163326

SCHEMBL27163326

CCOC(=O)c1nn(Cc2ccc(OC)cc2)cc1C(O)c1nc(Br)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ GLA P06280 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ APP P05067 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38

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
SCHEMBL29340025 0.83 AADAT (0.34) NPC1HSP90AA1RAB9AL3MBTL1
SCHEMBL29975109 0.80 MAPT (0.47) KDM4EALDH1A1MAPK1HSD17B10GLA
SCHEMBL16244489 0.79 NPBWR1 (0.45) KDM4EALDH1A1MAPK1HSD17B10GLA
SCHEMBL21858180 0.79 MAPT (0.43) KDM4EALDH1A1MAPK1HSD17B10GLA
SCHEMBL29343238 0.77 ADORA3 (0.33) KDM4EALDH1A1MAPK1HSD17B10GAA
SCHEMBL3583470 0.73 SMN1; SMN2 (0.51) KDM4EALDH1A1MAPK1HSD17B10GLA
SCHEMBL370013 0.73 MAPT (0.46) KDM4EALDH1A1MAPK1HSD17B10GLA
SCHEMBL27163328 0.72 PTGER4 (0.39) KDM4EALDH1A1GAAPOLBRXFP1
SCHEMBL369424 0.72 UCHL1 (0.47) KDM4EALDH1A1MAPK1HSD17B10GLA
SCHEMBL1645500 0.72 DCTPP1 (0.47) KDM4EALDH1A1MAPK1HSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 — — US disclosed
CN-117915918-A Soluble adenylate cyclase (sAC) inhibitors and uses thereof 康奈尔大学 2024-04-19 — — CN disclosed
EP-4329762-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF Cornell University (US) 2024-03-06 — — EP disclosed
WO-2022232259-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2022-11-03 — — 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 (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-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 KDM4E 4664/4885ALDH1A1 638/4885MAPK1 1159/4885

“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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