SCHEMBL27002135

SCHEMBL27002135

CC/C(=C\c1cc(OC)c(C)cc1OC)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPT P10636 5/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ERN1 O75460 1/20 0.35
▸ VCP P55072 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HTT P42858 1/20 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
SCHEMBL11735472 1.00 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL11739586 0.89 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL27187234 0.85 TAAR1 (0.41) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL27187239 0.85 TAAR1 (0.41) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL30852319 0.85 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL27188081 0.84 PRKDC (0.41) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL27187259 0.84 ALDH1A1 (0.39) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL27188085 0.84 PRKDC (0.41) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL27187311 0.84 MAPT (0.40) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL27187308 0.84 MAPT (0.40) ALDH1A1KDM4ETDP1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260021061-A1 ARIADNE AND ANALOGS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROMUSCLAR DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2026-01-22 — — US disclosed
US-20240166618-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2024-05-23 — — US disclosed
WO-2024073601-A2 ARIADNE AND ANALOGS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROMUSCLAR DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-04-04 — — WO disclosed
US-20240109836-A1 NON-HALLUCINOGENIC ARIADNE ANALOGS FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-04-04 — — US disclosed
CN-117642379-A Phenylalkylamines and methods of making and using the same 吉尔伽美什制药公司 2024-03-01 — — CN disclosed
EP-4305019-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME Gilgamesh Pharmaceuticals, Inc. (US) 2024-01-17 — — EP disclosed
WO-2022204323-A1 NON-HALLUCINOGENIC ARIADNE ANALOGS FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-09-29 — — WO disclosed
WO-2022192781-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2022-09-15 — — 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 (3 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-20240109836-A1 NON-HALLUCINOGENIC ARIADNE ANALOGS FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS HTR2C, HTR3A, CNR2 ALDH1A1 1723/4885KDM4E 2929/4885TDP1 3773/4885
US-20240166618-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME PNMT, HTR6, HTR2C ALDH1A1 1077/4885KDM4E 988/4885TDP1 571/4885
US-20260021061-A1 ARIADNE AND ANALOGS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROMUSCLAR DISORDERS ATXN2, HCRTR2, CDR2 ALDH1A1 402/4885KDM4E 4634/4885TDP1 1668/4885

“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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