SCHEMBL6768412

SCHEMBL6768412

CC(=O)c1c(CN2CCOCC2)[nH]c2ccc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
MAP2 P11137 1/20 0.44
CYP2A13 Q16696 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
EGFR P00533 1/20 0.43
CDK2 P24941 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SIRT1 Q96EB6 2/20 0.43
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL30043529 0.74 ALDH1A1 (0.59) HSD17B10KDM4EMAPTGAAALOX15
SCHEMBL23498248 0.74 ALDH1A1 (0.59) HSD17B10KDM4EMAPTGAAALOX15
SCHEMBL28962399 0.73 POLB (0.46) KDM4EGAAALDH1A1HPGDMAP2
SCHEMBL8523338 0.72 ALDH1A1 (0.54) HSD17B10KDM4EMAPTGAAALOX15
SCHEMBL22450909 0.71 MAP2 (0.52) MAPTGAAALOX15HPGDMAP2
SCHEMBL6769146 0.69 ALOX5 (0.54) ALOX15SIRT1PPARG
SCHEMBL31025931 0.68 GPR17 (0.57) HSD17B10KDM4EMAPTGAAALOX15
SCHEMBL27344324 0.68 KDM4E (0.56) HSD17B10KDM4EMAPTGAAALOX15
SCHEMBL1720869 0.67 HSD17B10 (0.55) HSD17B10KDM4EMAPTGAAALOX15
SCHEMBL38663581 0.65 PTGS2 (0.47) HSD17B10KDM4EMAPTGAAALOX15

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 6 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
EP-1069111-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY SHIONOGI & CO., LTD. (JP) 2001-01-17 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 (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 HSD17B10 684/4885KDM4E 370/4885MAPT 4082/4885
US-20030181499-A1 Indole derivatives having an antiviral activity IDO1, RCOR1, IDO2 HSD17B10 660/4885KDM4E 287/4885MAPT 4090/4885

“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.