SCHEMBL10831719

SCHEMBL10831719

Cc1ccc2[nH]c(-c3ccc4ccccc4c3)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.61
MAPT P10636 7/20 0.61
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 4/20 0.61
HSD17B10 Q99714 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
GFER P55789 1/20 0.61
TDP1 Q9NUW8 2/20 0.55
CYP2A6 P11509 1/20 0.55
LMNA P02545 3/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
ITK Q08881 4/20 0.50
CASP3 P42574 2/20 0.50

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
SCHEMBL2362656 0.83 NPC1 (0.69) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL4109053 0.83 NPC1 (0.68) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL16382914 0.83 RAB9A (0.63) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL30729276 0.83 NPC1 (0.68) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL10832443 0.81 NPC1 (0.75) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL10831846 0.81 CYP1A1 (0.61) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL10226025 0.79 NPC1 (0.68) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL10226020 0.79 NPC1 (0.68) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL17996026 0.78 CYP2A6 (0.81) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL29804862 0.78 RAB9A (0.71) KDM4EMAPTNPC1RAB9AMEN1

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-9334275-B2 Processes for preparing indoles NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-10 US disclosed
US-9206124-B2 Treatment of drug-resistant cancer with 2-aryl-2-(3-indolyl) acetohydroxamates NEW MEXICO TECHNICAL RESEARCH FOUNDATION (US) 2015-12-08 US disclosed
US-20150105439-A1 TREATMENT OF DRUG-RESISTANT CANCER WITH 2-ARYL-2-(3-INDOLYL) ACETOHYDROXAMATES NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2015-04-16 US disclosed
US-20150005494-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-01 US disclosed
US-4582848-A 2-substituted-3-indolamines and use thereof as anti-diabetics SANDOZ, INC. (US) 1986-04-15 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-20150105439-A1 TREATMENT OF DRUG-RESISTANT CANCER WITH 2-ARYL-2-(3-INDOLYL) ACETOHYDROXAMATES AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ABCC1 KDM4E 2872/4885MAPT 4732/4885NPC1 451/4885
US-20150005494-A1 PROCESSES FOR PREPARING INDOLES IDO1, INMT, IDO2 KDM4E 2552/4885MAPT 2590/4885NPC1 3955/4885

“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.