SCHEMBL832694

SCHEMBL832694

O=C(CCCl)Nc1cccc(OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.65
SENP1 Q9P0U3 1/20 0.59
RAB9A P51151 1/20 0.57
NR1H4 Q96RI1 1/20 0.57
PDK1 Q15118 1/20 0.57
PDK2 Q15119 1/20 0.57
PDK3 Q15120 1/20 0.57
PDK4 Q16654 1/20 0.57
MITF O75030 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
CTSV O60911 1/20 0.55
CTSL P07711 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL23283414 0.85 LTA4H (0.62) LTA4HSENP1RAB9ANR1H4PDK1
SCHEMBL7933622 0.84 LTA4H (0.61) LTA4HSENP1NR1H4PDK1PDK2
SCHEMBL9724937 0.84 LTA4H (0.61) LTA4HSENP1RAB9ANR1H4PDK1
SCHEMBL1142086 0.84 LTA4H (0.64) LTA4HSENP1RAB9ANR1H4PDK1
SCHEMBL10207293 0.84 HDAC1 (0.63) LTA4HSENP1RAB9A
SCHEMBL5249717 0.83 NR1H4 (0.65) LTA4HRAB9ANR1H4PDK1PDK2
SCHEMBL11681284 0.83 LTA4H (0.63) LTA4HRAB9ANR1H4PDK1PDK2
SCHEMBL8650865 0.82 HTT (0.65) RAB9ANR1H4MITFALDH1A1POLB
SCHEMBL28390021 0.82 MEN1 (0.71) LTA4HRAB9ANR1H4PDK1PDK2
SCHEMBL7837786 0.82 SENP1 (0.62) LTA4HSENP1RAB9ANR1H4PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-8404845-B2 2,3-substituted azaindole derivatives for treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-03-26 US disclosed
US-8404845-B2 2,3-substituted azaindole derivatives for treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-03-26 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 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 (4 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 LTA4H 2480/4885SENP1 2397/4885RAB9A 3773/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 LTA4H 2115/4885SENP1 1911/4885RAB9A 3194/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT LTA4H 2447/4885SENP1 1536/4885RAB9A 3050/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 LTA4H 1861/4885SENP1 2129/4885RAB9A 3925/4885

“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.