SCHEMBL29342685

SCHEMBL29342685

CCOC(=O)CC(=O)c1nn(C(F)F)cc1Cc1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.37
▸ ALDH1A1 P00352 9/20 0.36
▸ KDM4E B2RXH2 8/20 0.36
▸ MAPT P10636 5/20 0.36
▸ HSD17B10 Q99714 5/20 0.36
▸ HPGD P15428 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ SLC5A1 P13866 1/20 0.34
▸ SLC5A2 P31639 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.33
▸ TSHR P16473 2/20 0.33

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
SCHEMBL29343956 0.87 FPR1 (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29342218 0.86 MEN1 (0.42) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29339879 0.86 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29342521 0.85 NPC1 (0.43) EPHX2KDM4EMAPTHSD17B10HPGD
SCHEMBL29342733 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL29343312 0.79 GSK3B (0.33) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29343231 0.79 GAA (0.33) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL29339880 0.73 ADCY10 (0.38) ALDH1A1HSD17B10MAPK1TSHR
SCHEMBL29340215 0.73 MTNR1A (0.39) ALDH1A1HPGDMEN1KMT2AHTT
SCHEMBL29222044 0.72 SMN1; SMN2 (0.46) ALDH1A1KDM4EHSD17B10HPGDLMNA

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-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 — — 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-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 EPHX2 850/4885ALDH1A1 638/4885KDM4E 4664/4885

“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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