SCHEMBL2801436

SCHEMBL2801436

CCOC(=O)c1cnn2c(Nc3ccc(C)cc3)c(C(=O)N3CCC4(CC3)COc3cc(F)ccc34)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
KDR P35968 1/20 0.36
GAA P10253 3/20 0.35
MC4R P32245 1/20 0.35
HTT P42858 1/20 0.35
PTK2B Q14289 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2800927 0.93 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1MAPTLMNAKDM4E
SCHEMBL2801643 0.93 KDR (0.42) SMN1; SMN2NPSR1MAPTLMNAKDM4E
SCHEMBL2802360 0.92 KDM4E (0.36) SMN1; SMN2NPSR1MAPTLMNAKDM4E
SCHEMBL2801683 0.92 KDM4E (0.36) SMN1; SMN2NPSR1MAPTLMNAKDM4E
SCHEMBL2800575 0.91 ALDH1A1 (0.37) KDM4EALDH1A1HSD17B10HPGDKDR
SCHEMBL2801354 0.91 NPC1 (0.38) SMN1; SMN2NPSR1MAPTLMNAKDM4E
SCHEMBL2799661 0.91 KDM4E (0.38) SMN1; SMN2NPSR1MAPTLMNAKDM4E
SCHEMBL2803198 0.89 ALDH1A1 (0.34) SMN1; SMN2NPSR1MAPTLMNAKDM4E
SCHEMBL16390872 0.85 HSD17B10 (0.39) SMN1; SMN2NPSR1MAPTLMNAKDM4E
SCHEMBL2801628 0.85 HPGD (0.38) SMN1; SMN2NPSR1MAPTLMNAKDM4E

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 SMN1; SMN2 2769/4885NPSR1 4630/4885MAPT 2533/4885

“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.