SCHEMBL27002168

SCHEMBL27002168

COc1cc(/C=C(\C)[N+](=O)[O-])c(OC)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 2/20 0.44
▸ MAPT P10636 4/20 0.42
▸ HTR2A P28223 3/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ FBP1 P09467 1/20 0.39
▸ EGFR P00533 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ ABL2 P42684 1/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL31456003 0.88 PRKDC (0.38) PRKDCMAPTALDH1A1KDM4ECYP3A4
SCHEMBL31456031 0.87 MAPT (0.44) PRKDCMAPTALDH1A1KDM4ECYP3A4
SCHEMBL10783326 0.85 ALDH1A1 (0.40) PRKDCMAPTHTR2AALDH1A1KDM4E
SCHEMBL10783323 0.85 ALDH1A1 (0.40) PRKDCMAPTHTR2AALDH1A1KDM4E
SCHEMBL31456009 0.84 CYP1A1 (0.36) PRKDCMAPTALDH1A1KDM4ECYP3A4
SCHEMBL25279357 0.83 ALDH1A1 (0.41) PRKDCMAPTALDH1A1KDM4ECYP3A4
SCHEMBL26472732 0.83 ALDH1A1 (0.41) PRKDCMAPTALDH1A1KDM4ECYP3A4
SCHEMBL25697852 0.83 ALDH1A1 (0.41) PRKDCMAPTALDH1A1KDM4ECYP3A4
SCHEMBL27188081 0.82 PRKDC (0.41) PRKDCMAPTHTR2AALDH1A1KDM4E
SCHEMBL27188085 0.82 PRKDC (0.41) PRKDCMAPTHTR2AALDH1A1KDM4E

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-20240166618-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2024-05-23 — — 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-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 (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-20240166618-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME PNMT, HTR6, HTR2C PRKDC 1024/4885MAPT 596/4885HTR2A 11/4885

“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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