SCHEMBL12858950

SCHEMBL12858950

Nc1cc(NC=C2C(=O)NC(=S)NC2=O)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CTSB P07858 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ ALPG P10696 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ METAP1 P53582 2/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ MITF O75030 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ SIRT2 Q8IXJ6 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
SCHEMBL14426635 0.72 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTMETAP1SIRT2
SCHEMBL14839892 0.72 ALDH1A1 (0.53) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL3568820 0.67 MAP3K7 (0.46) ALDH1A1CYP1A2CYP3A4MAPTMAPK1
SCHEMBL3568822 0.67 MAP3K7 (0.46) ALDH1A1CYP1A2CYP3A4MAPTMAPK1
SCHEMBL4999298 0.65 KDR (0.46) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL4999295 0.65 KDR (0.46) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL30019611 0.64 METAP1 (0.58) ALDH1A1MEN1KMT2AMAPTMETAP1
SCHEMBL14712974 0.64 METAP1 (0.58) ALDH1A1MEN1KMT2AMAPTMETAP1
SCHEMBL564678 0.63 ALDH1A1 (0.50) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL4996080 0.63 KDR (0.50) ALDH1A1CYP1A2CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 — — US disclosed
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 — — US disclosed
WO-2007134449-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2007-11-29 — — 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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP ALDH1A1 4135/4885CYP1A2 4763/4885CYP3A4 4632/4885

“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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