SCHEMBL8097565

SCHEMBL8097565

CCc1ccccc1NC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL30316736 1.00 ALDH1A1 (0.46) ALDH1A1POLBMAPTGAATAS1R3
SCHEMBL19038256 0.87 ALDH1A1 (0.46) ALDH1A1POLBMAPTGAATAS1R3
SCHEMBL9501212 0.84 ALDH1A1 (0.47) ALDH1A1POLBMAPTGAATAS1R3
SCHEMBL13689141 0.83 ADRA2B (0.42) ALDH1A1POLBTAS1R3TAS1R1TDP1
SCHEMBL6023261 0.83 ALDH1A1 (0.47) ALDH1A1POLBMAPTGAATAS1R3
SCHEMBL963410 0.81 IDO1 (0.48) ALDH1A1TDP1IDO1
SCHEMBL22133452 0.81 AOC1 (0.58) ALDH1A1GAATDP1IDO1
SCHEMBL24315973 0.80 ALDH1A1 (0.42) ALDH1A1POLBMAPTGAATAS1R3
SCHEMBL10409255 0.80 ALDH1A1 (0.42) ALDH1A1POLBMAPTGAATAS1R3
SCHEMBL15325737 0.80 TAS1R3 (0.51) ALDH1A1POLBMAPTGAATAS1R3

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-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
CN-109627193-B Diaryl azo oxygen compound with anti-tumor effect and synthesis method thereof 华中科技大学 2020-05-22 CN disclosed
WO-2016008862-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-21 WO disclosed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US disclosed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 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-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 ALDH1A1 133/4885POLB 1410/4885MAPT 1601/4885

“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.