SCHEMBL6768333

SCHEMBL6768333

O=C(C=C(O)C1(C(=O)O)C=CC=CC1)c1cn(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.40
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PLK1 P53350 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ ACLY P53396 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ TNFSF11 O14788 3/20 0.35
▸ TNF P01375 2/20 0.35
▸ CYP3A4 P08684 2/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL6768534 0.79 LMNA (0.48) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL7135129 0.79 LMNA (0.48) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL6773761 0.76 SMN1; SMN2 (0.46) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL1466360 0.75 AKR1C3 (0.60) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL6764407 0.74 LMNA (0.44) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL6769055 0.73 LMNA (0.71) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL6766808 0.72 MEN1 (0.44) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL6766810 0.72 MEN1 (0.44) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL6773745 0.71 MEN1 (0.53) HTR6LMNASMN1; SMN2PLK1MEN1
SCHEMBL1041051 0.70 LMNA (0.53) HTR6LMNASMN1; SMN2PLK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716605-B2 Indole derivatives having an antiviral activity SHIONOGI & CO., LTD. (JP) 2004-04-06 — — US disclosed
US-20030181499-A1 Indole derivatives having an antiviral activity FUJISHITA TOSHIO (JP) 2003-09-25 — — US disclosed
US-6506787-B2 Aids therapy SHIONOGI & CO., LTD. (JP) 2003-01-14 — — US disclosed
US-20020019434-A1 Indole derivatives having an antiviral activity FUJISHITA TOSHIO (JP) 2002-02-14 — — US disclosed
US-6333323-B1 AS ANTI-HUMAN IMMUNODEFICIENCY VIRUS (HIV) DRUGS SHIONOGI & CO., LTD. (JP) 2001-12-25 — — 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 (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-20020019434-A1 Indole derivatives having an antiviral activity IDO1, IDO2, RCOR1 HTR6 148/4885LMNA 3556/4885SMN1; SMN2 4787/4885
US-20030181499-A1 Indole derivatives having an antiviral activity IDO1, RCOR1, IDO2 HTR6 154/4885LMNA 3448/4885SMN1; SMN2 4797/4885

“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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