SCHEMBL2801935

SCHEMBL2801935

CCOC(=O)c1cnn2c(Nc3ccc(F)c(C)c3)c(C(=O)N3CCC(c4ccc(F)cc4)CC3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 2/20 0.40
BRAF P15056 2/20 0.39
PDE4B Q07343 3/20 0.37
MAPT P10636 3/20 0.37
FASN P49327 4/20 0.37
KDR P35968 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
P2RX3 P56373 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2802820 0.94 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL2800893 0.91 MAPT (0.40) ALDH1A1SMN1; SMN2NPC1RAB9APDE4B
SCHEMBL2802161 0.89 KDR (0.46) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL2799695 0.88 KDM4E (0.41) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL2800918 0.88 KDM4E (0.42) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL2803140 0.87 FASN (0.39) ALDH1A1SMN1; SMN2NPC1RAB9APDE4B
SCHEMBL2800042 0.85 PDE4B (0.43) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2799689 0.83 KDM4E (0.47) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL2800828 0.82 KDM4E (0.47) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL2800599 0.82 KDM4E (0.39) KDM4EALDH1A1HSD17B10NPC1RAB9A

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 KDM4E 3180/4885ALDH1A1 243/4885HSD17B10 1881/4885

“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.