SCHEMBL5877112

SCHEMBL5877112

Cc1ccc(S(=O)(=O)n2nc(NC3CC3)c3c2CC(c2ccccc2)(c2cccnc2)C=C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR6 P51684 2/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
GBA1 P04062 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.31
GFER P55789 1/20 0.31
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31
GPR6 P46095 1/20 0.31

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
SCHEMBL5877529 0.97 CYP3A4 (0.36) ALDH1A1CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL5877418 0.97 ALDH1A1 (0.36) ALDH1A1CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL5876940 0.94 CYP3A4 (0.35) ALDH1A1CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL5876012 0.93 NR1H2 (0.36) ALDH1A1CYP2C19CCR6NR1H2NR1H3
SCHEMBL5876220 0.92 NR1H2 (0.34) ALDH1A1CYP2C19LMNACCR6NR1H2
SCHEMBL5876198 0.90 USP2 (0.37) ALDH1A1CYP2C19LMNACCR6NR1H2
SCHEMBL5876674 0.89 USP2 (0.35) ALDH1A1CYP2C19CCR6NR1H2NR1H3
SCHEMBL5876928 0.89 CCR6 (0.34) ALDH1A1LMNACCR6MEN1KMT2A
SCHEMBL5876984 0.88 GPR6 (0.35) ALDH1A1CYP2C19LMNASMN1; SMN2NR1H2
SCHEMBL5876722 0.88 POLB (0.35) ALDH1A1CYP2C19CYP3A4CYP2D6CYP2C9

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-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT ALDH1A1 166/4885CYP2C19 13/4885CYP3A4 26/4885

“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.