SCHEMBL4163696

SCHEMBL4163696

O=C1Nc2ccccc2C1S(=O)(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.45
MAPT P10636 5/20 0.41
GSK3B P49841 2/20 0.41
BRPF1 P55201 1/20 0.39
CREBBP Q92793 1/20 0.39
TDO2 P48775 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
PARP1 P09874 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL28466673 0.79 IDO1 (0.42) IDO1MAPTGSK3BBRPF1CREBBP
SCHEMBL7574131 0.79 MAOA (0.44) MAPTBRPF1CREBBPL3MBTL1ALDH1A1
SCHEMBL31728760 0.72 IDO1 (0.55) IDO1MAPTGSK3BBRPF1CREBBP
SCHEMBL1462143 0.72 IDO1 (0.55) IDO1MAPTGSK3BBRPF1CREBBP
SCHEMBL9899738 0.71 IDO1 (0.53) IDO1MAPTGSK3BBRPF1CREBBP
Sulfuric Acid SCHEMBL29636505 0.70 IDO1 (0.45) IDO1MAPTGSK3BBRPF1CREBBP
SCHEMBL7852811 0.70 IDO1 (0.49) IDO1MAPTGSK3BTDO2ALDH1A1
SCHEMBL11462474 0.70 IDO1 (0.52) IDO1MAPTGSK3BBRPF1CREBBP
SCHEMBL87439 0.68 IDO1 (0.50) IDO1MAPTGSK3BBRPF1CREBBP
SCHEMBL2767246 0.68 IDO1 (0.50) IDO1MAPTGSK3BBRPF1CREBBP

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-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 IDO1 1964/4885MAPT 734/4885GSK3B 291/4885

“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.