SCHEMBL2801855

SCHEMBL2801855

Cc1ccc(Nc2c(C(=O)N3CCC(c4ccccc4)CC3)cnc3c(Br)cnn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
TRPC3 Q13507 1/20 0.41
TRPC6 Q9Y210 1/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
KDR P35968 2/20 0.41
SPR P35270 3/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
F11 P03951 1/20 0.39
SYK P43405 1/20 0.39
MGLL Q99685 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2798936 0.91 ALDH1A1 (0.45) PDE4BTRPC3TRPC6SMN1; SMN2NPC1
SCHEMBL2801606 0.91 PDE4B (0.48) PDE4BTRPC3TRPC6TP53SMN1; SMN2
SCHEMBL2801491 0.90 DRD2 (0.45) PDE4BTRPC3TRPC6TP53SMN1; SMN2
SCHEMBL2799653 0.88 NPC1 (0.42) PDE4BTP53NPC1RAB9ASPR
SCHEMBL2801190 0.88 TP53 (0.43) PDE4BTP53SMN1; SMN2NPC1RAB9A
SCHEMBL2802498 0.86 ALDH1A1 (0.40) PDE4BTP53SPRALDH1A1L3MBTL1
SCHEMBL2800587 0.86 STAT6 (0.42) TP53SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL2800807 0.85 SIRT5 (0.43) PDE4BTP53SMN1; SMN2SPRALDH1A1
SCHEMBL2799808 0.85 MGLL (0.40) PDE4BSPRALDH1A1L3MBTL1F11
SCHEMBL2798420 0.84 SIRT5 (0.49) TRPC3TRPC6SMN1; SMN2NPC1RAB9A

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 PDE4B 1603/4885TRPC3 3732/4885TRPC6 3951/4885

“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.