SCHEMBL2804334

SCHEMBL2804334

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cc(C)ccc3C)c(C(=O)N3CCC4(CC3)COc3c(F)cccc34)cnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.33
KDM4E B2RXH2 5/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.32
TLR4 O00206 1/20 0.32
CBX7 O95931 2/20 0.31
KDR P35968 1/20 0.31
NPY5R Q15761 1/20 0.31
TSHR P16473 3/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 2/20 0.30
HTT P42858 2/20 0.30

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
SCHEMBL2803802 0.90 AVPR1A (0.37) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2801328 0.90 TP53 (0.37) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2801052 0.89 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2801581 0.88 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2803208 0.87 ALDH1A1 (0.32) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2800965 0.86 DHODH (0.35) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2803128 0.85 BRAF (0.37) ALDH1A1KDM4EHPGDHSD17B10KDR
SCHEMBL2799602 0.84 IDO1 (0.33) ALDH1A1KDM4EHPGDTLR4TSHR
SCHEMBL2802960 0.84 IDO1 (0.39) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL2800768 0.83 IDO1 (0.37) ALDH1A1HPGDHSD17B10CBX7NPY5R

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 243/4885KDM4E 3180/4885HPGD 589/4885

“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.