SCHEMBL2803133

SCHEMBL2803133

Cc1c(F)cccc1Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(Br)cnn12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
EGLN1 Q9GZT9 1/20 0.40
SCN9A Q15858 1/20 0.39
SPR P35270 2/20 0.38
PDE4B Q07343 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F11 P03951 1/20 0.37
MGLL Q99685 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
SIRT5 Q9NXA8 1/20 0.37
CCR5 P51681 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
SCHEMBL2800090 0.91 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL2800807 0.91 SIRT5 (0.43) ALDH1A1KMT2AMEN1LMNAEGLN1
SCHEMBL2801671 0.90 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL2799653 0.89 NPC1 (0.42) ALDH1A1KMT2ASPRPDE4BL3MBTL1
SCHEMBL2802498 0.88 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL2799428 0.87 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL2799808 0.85 MGLL (0.40) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL2798420 0.85 SIRT5 (0.49) ALDH1A1EGLN1SPRL3MBTL1MGLL
SCHEMBL2799813 0.85 SPR (0.43) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL2801190 0.85 TP53 (0.43) ALDH1A1KMT2AMEN1LMNASPR

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 243/4885KMT2A 2175/4885KDM4E 3180/4885

“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.