SCHEMBL3174159

SCHEMBL3174159

CC(C)C(=O)c1c[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
CYP1A2 P05177 1/20 0.60
HPGD P15428 1/20 0.60
ALOX12 P18054 1/20 0.60
HAT1 O14929 3/20 0.47
EP300 Q09472 3/20 0.47
HSD17B10 Q99714 1/20 0.47
KIF11 P52732 2/20 0.43
CDK2 P24941 1/20 0.42
TBXAS1 P24557 1/20 0.41
MAPT P10636 1/20 0.41
IGF1R P08069 1/20 0.41
MET P08581 1/20 0.41
SRC P12931 1/20 0.41
NR4A2 P43354 1/20 0.40
DYRK1A Q13627 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL17026963 0.89 KMT2A (0.50) ALDH1A1KMT2AMEN1CYP1A2HPGD
SCHEMBL29644277 0.83 ALDH1A1 (0.83) ALDH1A1KMT2AMEN1CYP1A2HPGD
SCHEMBL10253551 0.83 ALDH1A1 (0.83) ALDH1A1KMT2AMEN1CYP1A2HPGD
SCHEMBL2133676 0.81 MEN1 (0.65) ALDH1A1KMT2AMEN1CYP1A2HPGD
SCHEMBL3629228 0.81 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1CYP1A2HPGD
SCHEMBL29644278 0.81 MEN1 (0.65) ALDH1A1KMT2AMEN1CYP1A2HPGD
SCHEMBL3181708 0.81 GPR84 (0.50) ALDH1A1KMT2AHAT1EP300NR4A2
SCHEMBL9936837 0.80 NR4A2 (0.65) ALDH1A1KMT2AMEN1CYP1A2HPGD
SCHEMBL1557638 0.79 MEN1 (0.68) ALDH1A1KMT2AMEN1CYP1A2HPGD
SCHEMBL21274669 0.79 KMT2A (0.56) ALDH1A1KMT2AMEN1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016371-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016371-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016371-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20090298866-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2009-12-03 US disclosed
US-20090298866-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2009-12-03 US disclosed
US-20090298866-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2009-12-03 US disclosed
EP-2044062-A1 INDOLE COMPOUNDS Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-2041086-A1 INDOLE COMPOUNDS Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008006790-A1 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006790-A1 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006793-A1 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006793-A1 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 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 (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-20100016371-A1 Indole Compounds IDO1, TPH1, IDO2 ALDH1A1 728/4885KMT2A 2708/4885MEN1 395/4885
US-20090298866-A1 Indole Compounds IDO1, TPH1, IDO2 ALDH1A1 560/4885KMT2A 2595/4885MEN1 283/4885

“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.