SCHEMBL2801711

SCHEMBL2801711

Cn1ccc2cc(Nc3c(C(=O)N4CCC(c5ccccc5)CC4)cnc4c(C(=O)O)cnn34)ccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
SYK P43405 1/20 0.42
MGLL Q99685 2/20 0.41
TRPC3 Q13507 1/20 0.40
TRPC6 Q9Y210 1/20 0.40
SPR P35270 3/20 0.38
RAB9A P51151 1/20 0.38
PDE4B Q07343 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
F11 P03951 2/20 0.38
FAAH O00519 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CHRNA7 P36544 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
SCHEMBL2800790 0.91 KDM4E (0.39) DHODHSYKMGLLTRPC3TRPC6
SCHEMBL2801359 0.90 SYK (0.38) DHODHSYKMGLLTRPC3TRPC6
SCHEMBL2831884 0.87 PDE4B (0.39) DHODHSYKMGLLTRPC3TRPC6
SCHEMBL2801606 0.84 PDE4B (0.48) SYKTRPC3TRPC6SPRRAB9A
SCHEMBL2798484 0.84 MGLL (0.47) SYKMGLLSPRALDH1A1
SCHEMBL2801238 0.83 DRD2 (0.46) SPRRAB9APDE4BF11ALDH1A1
SCHEMBL2800076 0.83 SPR (0.44) DHODHSYKMGLLTRPC3TRPC6
SCHEMBL2800042 0.83 PDE4B (0.43) DHODHTRPC3TRPC6SPRRAB9A
SCHEMBL2799831 0.82 ALDH1A1 (0.47) TRPC3TRPC6SPRRAB9APDE4B
SCHEMBL2801644 0.82 SPR (0.44) SYKMGLLTRPC3TRPC6SPR

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 DHODH 446/4885SYK 958/4885MGLL 4369/4885

“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.