SCHEMBL29534344

SCHEMBL29534344

O=[N+]([O-])c1cc(F)cc(SCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ MAPT P10636 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.43
▸ CTSB P07858 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HPGD P15428 3/20 0.42
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL15122639 1.00 ALDH1A1 (0.48) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL8671668 0.80 MEN1 (0.60) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL6794925 0.80 ALDH1A1 (0.51) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL6790960 0.78 KMT2A (0.58) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5376333 0.78 MAPT (0.63) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL29900461 0.77 MEN1 (0.60) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL19332390 0.77 MEN1 (0.60) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5657358 0.74 MAPT (0.63) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5380400 0.74 MAPT (0.49) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL13722496 0.74 MEN1 (0.60) ALDH1A1MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136619-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. 2025-05-01 — — US disclosed
WO-2024217557-A1 SUBSTITUTED TETRAHYDROFURANS AS NAV1.8 INHIBITORS 武汉人福创新药物研发中心有限公司 2024-10-24 — — WO disclosed
CN-118812519-A Substituted tetrahydrofurans as Nav1.8 inhibitors 武汉人福创新药物研发中心有限公司 2024-10-22 — — CN disclosed
WO-2023059581-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 — — WO disclosed
CN-114391012-A Pyridine derivatives as KIF18A inhibitors 美国安进公司 2022-04-22 — — CN 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-20250136619-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE CDK9, AURKB, AURKC ALDH1A1 4464/4885MAPT 912/4885LMNA 4190/4885

“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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