SCHEMBL2801428

SCHEMBL2801428

CS(=O)(=O)NC(=O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC(c4cccs4)CC3)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
THRB P10828 2/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
RBP4 P02753 1/20 0.35
GLA P06280 1/20 0.35
AXL P30530 1/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SPR P35270 1/20 0.34
SCN7A Q01118 1/20 0.34
UBE2M P61081 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
SCHEMBL2801535 0.90 ALDH1A1 (0.40) ALDH1A1THRBKDM4ELMNASMN1; SMN2
SCHEMBL2799687 0.90 STAT6 (0.40) ALDH1A1THRBKDM4ELMNASMN1; SMN2
SCHEMBL2798553 0.88 THRB (0.37) ALDH1A1THRBKDM4ELMNASMN1; SMN2
SCHEMBL2802763 0.87 SPR (0.39) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL2802391 0.87 SMN1; SMN2 (0.41) ALDH1A1THRBKDM4ELMNASMN1; SMN2
SCHEMBL2801027 0.87 RBP4 (0.40) ALDH1A1THRBKDM4ELMNASMN1; SMN2
SCHEMBL2802693 0.86 TP53 (0.41) ALDH1A1LMNASMN1; SMN2RBP4EGLN1
SCHEMBL2800864 0.86 CCR1 (0.42) THRBSMN1; SMN2TP53
SCHEMBL2800914 0.86 RBP4 (0.41) ALDH1A1THRBRBP4AXLFLT3
SCHEMBL2800878 0.86 TP53BP1 (0.38) ALDH1A1THRBKDM4EGLAAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP 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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 ALDH1A1 243/4885THRB 4546/4885KDM4E 3180/4885

“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.