SCHEMBL13778705

SCHEMBL13778705

Cc1ccc(Oc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.71
▸ TSHR P16473 2/20 0.71
▸ TEAD4 Q15561 1/20 0.54
▸ ALOX15 P16050 2/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MAPT P10636 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ HTT P42858 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SLC2A1 P11166 1/20 0.45
▸ ACHE P22303 1/20 0.44
▸ HSD17B1 P14061 1/20 0.44
▸ HSD17B2 P37059 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ HTR2A P28223 1/20 0.43

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
SCHEMBL3946527 0.90 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL13018337 0.90 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL13018335 0.90 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL12757131 0.85 ALDH1A1 (0.66) ALDH1A1TSHRMAPTHTTMEN1
SCHEMBL28378 0.84 ALDH1A1 (1.00) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL20678561 0.84 ALDH1A1 (1.00) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL17122444 0.83 TEAD4 (0.56) ALDH1A1TSHRTEAD4MAPTTDP1
SCHEMBL14426862 0.83 TEAD4 (0.56) ALDH1A1TSHRTEAD4MAPTTDP1
SCHEMBL13018336 0.83 ALDH1A1 (0.55) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL8944336 0.83 TEAD4 (0.56) ALDH1A1TSHRTEAD4MAPTTDP1

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
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 — — EP disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 — — WO disclosed
US-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN AEGERA THERAPEUTICS INC. (CA) 2009-07-02 — — 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-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN SCN1B, SCN3A, SCN1A ALDH1A1 658/4885TSHR 1370/4885TEAD4 3925/4885

“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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