SCHEMBL12435546

SCHEMBL12435546

COC(=O)Cc1cc2c(O)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
EGFR P00533 3/20 0.48
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IDO1 P14902 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL9587954 0.86 SMN1; SMN2 (0.50) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL152992 0.84 MTNR1A (0.47) MTNR1AMTNR1BEGFRKDM4EALDH1A1
SCHEMBL9534359 0.81 KDM4E (0.46) MTNR1AMTNR1BEGFRKDM4EALDH1A1
SCHEMBL9587971 0.78 ASH1L (0.44) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL8686875 0.77 MTNR1A (0.56) MTNR1AMTNR1BEGFRKDM4EALDH1A1
SCHEMBL5769848 0.76 DAO (0.50) MTNR1AMTNR1BKDM4EALDH1A1IDO1
SCHEMBL12435547 0.75 MTNR1A (0.48) MTNR1AMTNR1BEGFRKDM4EALDH1A1
SCHEMBL14154752 0.75 MTNR1A (0.48) MTNR1AMTNR1BEGFRKDM4EALDH1A1
SCHEMBL5768535 0.74 RHEB (0.51) KDM4EALDH1A1IDO1HRH4DAO
SCHEMBL915460 0.74 HRH4 (0.55) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10

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-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
WO-2008082484-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2008-07-10 WO 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-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 MTNR1A 89/4885MTNR1B 108/4885EGFR 2972/4885

“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.