SCHEMBL6312067

SCHEMBL6312067

COc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.68
▸ RAB9A P51151 9/20 0.68
▸ SMN1; SMN2 Q16637 5/20 0.68
▸ ALDH1A1 P00352 3/20 0.68
▸ TP53 P04637 3/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ TSHR P16473 1/20 0.68
▸ MAPT P10636 1/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.62
▸ HPGD P15428 1/20 0.61
▸ POLB P06746 2/20 0.61
▸ KLF5 Q13887 1/20 0.57
▸ DCLK1 O15075 1/20 0.54
▸ FES P07332 1/20 0.54
▸ PIM1 P11309 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ GSK3A P49840 1/20 0.54
▸ GSK3B P49841 1/20 0.54
▸ IRAK1 P51617 1/20 0.54

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
SCHEMBL344352 0.80 ALDH1A1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL17318607 0.79 APOBEC3G (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL9713321 0.78 TP53 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL13056037 0.76 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL6311709 0.76 TP53 (0.78) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL6378070 0.74 MAPT (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL16073069 0.74 RAB9A (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL9713450 0.73 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL6769684 0.73 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL9713679 0.73 NPC1 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143581-A1 Process for preparation of alkoxybenzamides and thiazolyl isocyanates MITSUI CHEMICALS, INC. (JP) 2005-06-30 — — US disclosed
EP-1489073-A1 PROCESS FORPREPARATION OF ALKOXYBENZAMIDES AND THIAZOLYL ISOCYANATES MITSUI CHEMICALS, INC. (JP) 2004-12-22 — — 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 (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-20050143581-A1 Process for preparation of alkoxybenzamides and thiazolyl isocyanates CBR3, CBR1, IDH1 NPC1 3375/4885RAB9A 2103/4885SMN1; SMN2 4217/4885

“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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