SCHEMBL5311990

SCHEMBL5311990

COc1cccc(CN(Cc2cccc(OC)c2)C(N)=S)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.51
▸ IDO1 P14902 2/20 0.51
▸ AGXT P21549 2/20 0.51
▸ POLB P06746 1/20 0.50
▸ AOC3 Q16853 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B2 P37059 1/20 0.49
▸ CALM1 P0DP23 1/20 0.48
▸ CAMKK2 Q96RR4 1/20 0.48
▸ TSPO P30536 1/20 0.47
▸ PTGES O14684 1/20 0.45
▸ SLC2A1 P11166 1/20 0.45
▸ SLC2A4 P14672 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ MAOB P27338 1/20 0.45

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
SCHEMBL30855352 1.00 TAAR1 (0.51) TAAR1IDO1AGXTPOLBAOC3
SCHEMBL29194742 0.95 CALM1 (0.55) TAAR1IDO1AGXTPOLBCALM1
SCHEMBL30245845 0.90 POLB (0.46) TAAR1IDO1AGXTPOLBAOC3
SCHEMBL29194663 0.90 POLB (0.46) TAAR1IDO1AGXTPOLBAOC3
SCHEMBL25291376 0.89 SLC2A1 (0.44) TAAR1IDO1AGXTPOLBAOC3
SCHEMBL30246188 0.89 SLC2A1 (0.44) TAAR1IDO1AGXTPOLBAOC3
SCHEMBL29194714 0.86 POLB (0.59) TAAR1IDO1AGXTPOLBAOC3
SCHEMBL30245952 0.86 POLB (0.59) TAAR1IDO1AGXTPOLBAOC3
SCHEMBL28267855 0.86 AOC3 (0.53) TAAR1IDO1AGXTPOLBAOC3
SCHEMBL30246316 0.84 HSD17B2 (0.56) TAAR1IDO1AGXTAOC3HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280495-A2 3-METHOXYBENZYL THIOUREA DERIVATIVES AND IMPROVED LIPID COMPOSITIONS CONTAINING SAME Abbott, Thomas, P. (US) 2003-02-05 — — EP claimed
WO-2001085681-A2 3-METHOXYBENZYL THIOUREA DERIVATIVES AND IMPROVED LIPID COMPOSITIONS CONTAINING SAME THE FANNING CORPORATION (US) 2001-11-15 — — WO claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO disclosed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO disclosed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 — — WO disclosed
EP-1155677-B1 Compositions for inhibiting free radical polymerization in skin and hair FAN TECH LTD (US) 2007-06-13 — — EP disclosed
US-20030114532-A1 Methods and compositions for inhibiting free radical polymerization in skin and hair FAN TECH, LTD. 2003-06-19 — — US disclosed
US-6545052-B2 Contacting skin with skin treatment composition having concentration of 1-(3-methoxybenzyl)-3-substituted thiourea compound effective for inhibiting free radical generation FAN TECH, LTD. 2003-04-08 — — US disclosed
US-20020094342-A1 Methods and compositions for inhibiting free radical polymerization in skin and hair FAN TECH, LTD. 2002-07-18 — — US disclosed
EP-1155677-A2 Methods and compositions for inhibiting free radical polymerization in skin and hair Fan Tech Ltd. (US) 2001-11-21 — — EP 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 (2 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-20020094342-A1 Methods and compositions for inhibiting free radical polymerization in skin and hair TST, BHMT2, TXN2 TAAR1 4418/4885IDO1 660/4885AGXT 718/4885
US-20030114532-A1 Methods and compositions for inhibiting free radical polymerization in skin and hair TST, BHMT2, TXN2 TAAR1 4418/4885IDO1 660/4885AGXT 718/4885

“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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