SCHEMBL2190893

SCHEMBL2190893

Cc1nc2c(NCc3ccsc3)cccn2c1CC#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 6/20 0.51
ATP4B P51164 6/20 0.51
CYP3A4 P08684 5/20 0.49
CYP2C9 P11712 5/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 3/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CYP2C19 P33261 2/20 0.39
KDM4C Q9H3R0 1/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FLT3 P36888 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL2189557 0.84 ATP4A (0.66) ATP4AATP4BCYP3A4CYP2C9CYP1A2
SCHEMBL10922950 0.82 ATP4A (0.46) ATP4AATP4BCYP3A4CYP2C9CYP1A2
SCHEMBL2193727 0.80 ATP4A (0.74) ATP4AATP4BCYP3A4CYP2C9CYP1A2
SCHEMBL2190890 0.74 ATP4A (0.47) ATP4AATP4BCYP3A4CYP2C9CYP1A2
SCHEMBL2193489 0.71 ATP4A (0.47) ATP4AATP4BCYP3A4CYP2C9CYP1A2
SCHEMBL5633236 0.71 ATP4A (0.60) ATP4AATP4BCYP3A4CYP2C9CYP1A2
SCHEMBL5633386 0.71 ATP4A (0.60) ATP4AATP4BCYP3A4CYP2C9CYP1A2
SCHEMBL11005164 0.69 ATP4A (0.56) ATP4AATP4BCYP3A4CYP2C9CYP1A2
SCHEMBL2191115 0.68 ATP4A (1.00) ATP4AATP4BCYP3A4CYP2C9CYP1A2
SCHEMBL9746585 0.68 CYP3A4 (0.51) ATP4AATP4BCYP3A4CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150086497-A1 Skin Lightening Compositions ELC MAN LLC (US) 2015-03-26 US claimed
US-4450164-A ANTIULCER AND ANTISECRETORY AGENTS SCHERING CORPORATION (US) 1984-05-22 US claimed
EP-2521531-B1 SKIN LIGHTENING COMPOSITIONS ELC MAN LLC (US) 2017-07-12 EP disclosed
US-20170035672-A1 SKIN LIGHTENING COMPOSITIONS ELC MAN LLC (US) 2017-02-09 US disclosed
EP-3103437-A1 SKIN LIGHTENING COMPOSITIONS ELC Management LLC (US) 2016-12-14 EP disclosed
US-9314415-B2 Skin lightening compositions ELC MANAGEMENT LLC (US) 2016-04-19 US disclosed
US-8992897-B2 Skin lightening compositions ELC MANAGEMENT LLC (US) 2015-03-31 US disclosed
US-20150086497-A1 Skin Lightening Compositions ELC MAN LLC (US) 2015-03-26 US disclosed
US-20140212365-A9 SKIN LIGHTENING COMPOSITIONS NIKI YOKO (JP) 2014-07-31 US disclosed
US-20140154190-A1 Skin Lightening Compositions ELC MANAGEMENT, LLC (US) 2014-06-05 US disclosed
US-8722026-B2 Skin lightening compositions ELC MANAGEMENT, LLC (US) 2014-05-13 US disclosed
US-20140112877-A1 SKIN LIGHTENING COMPOSITIONS NIKI YOKO (JP) 2014-04-24 US disclosed
EP-2521531-A2 SKIN LIGHTENING COMPOSITIONS ELC Management LLC (US) 2012-11-14 EP disclosed
US-20110171149-A1 Skin Lightening Compositions ELC MANAGEMENT LLC 2011-07-14 US disclosed
WO-2011085015-A2 SKIN LIGHTENING COMPOSITIONS ELC MANAGEMENT LLC (US) 2011-07-14 WO disclosed
US-4450164-A ANTIULCER AND ANTISECRETORY AGENTS SCHERING CORPORATION (US) 1984-05-22 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 (6 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-20110171149-A1 Skin Lightening Compositions CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885CYP3A4 2827/4885
US-20140212365-A9 SKIN LIGHTENING COMPOSITIONS CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885CYP3A4 2827/4885
US-20170035672-A1 SKIN LIGHTENING COMPOSITIONS CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885CYP3A4 2827/4885
US-20140154190-A1 Skin Lightening Compositions TYR, MC1R, AHR ATP4A 3964/4885ATP4B 4059/4885CYP3A4 274/4885
US-20140112877-A1 SKIN LIGHTENING COMPOSITIONS CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885CYP3A4 2827/4885
US-20150086497-A1 Skin Lightening Compositions CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885CYP3A4 2827/4885

“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.