SCHEMBL5453761

SCHEMBL5453761

CCOc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.78
MEN1 O00255 8/20 0.78
MITF O75030 1/20 0.59
RAB9A P51151 8/20 0.58
MAPT P10636 7/20 0.58
NPC1 O15118 7/20 0.58
ALDH1A1 P00352 5/20 0.58
ALOX12 P18054 3/20 0.58
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
TP53 P04637 3/20 0.55
MAPK1 P28482 2/20 0.54
POLB P06746 1/20 0.54
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
AHR P35869 1/20 0.52

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
SCHEMBL10960859 0.88 KMT2A (1.00) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL5455550 0.83 KMT2A (0.65) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL5453211 0.82 ALDH1A1 (0.72) KMT2AMEN1MITFRAB9AMAPT
SCHEMBL13956732 0.81 ALDH1A1 (0.57) KMT2AMEN1MITFRAB9AMAPT
SCHEMBL12012121 0.80 ALDH1A1 (0.75) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL3054964 0.80 ALDH1A1 (0.66) KMT2AMEN1MITFRAB9AMAPT
SCHEMBL5443694 0.80 MITF (0.63) KMT2AMEN1MITFRAB9AMAPT
SCHEMBL1514749 0.78 RAB9A (0.65) KMT2AMEN1MITFRAB9AMAPT
Etocarlide SCHEMBL7873047 0.77 KMT2A (0.73) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL14096622 0.76 ALDH1A1 (0.69) KMT2AMEN1RAB9AMAPTNPC1

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
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 CN disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 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 (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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 KMT2A 4579/4885MEN1 4577/4885MITF 3632/4885

“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.