SCHEMBL3052067

SCHEMBL3052067

COc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CC(=O)N4CCN(C(=O)c5cccnc5)CC4)c23)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PIK3CG P48736 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ PDGFRB P09619 1/20 0.39

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
SCHEMBL3057223 0.82 MAPT (0.37) CYP2C9KMT2A
SCHEMBL3049768 0.81 CYP2D6 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3043143 0.81 ALDH1A1 (0.36) ALDH1A1PIK3CGSMN1; SMN2LMNA
SCHEMBL3043136 0.79 OPRD1 (0.35) TDP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3056109 0.79 HIF1A (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL3047576 0.79 KMT2A (0.41) TDP1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL3063031 0.78 CYP3A4 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL3060584 0.78 OPRD1 (0.33) TDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL13139645 0.78 BDKRB1 (0.41) ALDH1A1
SCHEMBL3046916 0.77 BDKRB1 (0.39) CYP3A4CYP2C19MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US claimed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US claimed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB TDP1 1632/4885ALDH1A1 1551/4885CYP3A4 1993/4885

“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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