SCHEMBL21164210

SCHEMBL21164210

C=C/C(=C\N(C)C)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ TGM2 P21980 3/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ F13A1 P00488 1/20 0.40
▸ TGM1 P22735 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL2393858 0.83 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL5902084 0.83 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL2393862 0.83 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL17779954 0.82 ALDH1A1 (0.50) ALDH1A1TGM2MAPTHPGDHCAR2
SCHEMBL4047404 0.81 ALDH1A1 (0.42) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL4047407 0.81 ALDH1A1 (0.42) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL21164212 0.77 TGM2 (0.47) ALDH1A1TGM2HCAR2TDP1MAPK1
SCHEMBL20412361 0.77 ALDH1A1 (0.53) ALDH1A1MAPTHPGDHCAR2TDP1
Perchlorate SCHEMBL10991932 0.76 ALDH1A1 (0.38) ALDH1A1TGM2MAPTHPGDF13A1
Perchlorate SCHEMBL10991937 0.76 ALDH1A1 (0.38) ALDH1A1TGM2MAPTHPGDF13A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350199-B2 3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indazoles and therapeutic uses thereof SAMUMED, LLC (US) 2019-07-16 — — US 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-10350199-B2 3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indazoles and therapeutic uses thereof WNT1, WNT3, WNT3A ALDH1A1 825/4885TGM2 3006/4885MAPT 1834/4885

“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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