SCHEMBL2802498

SCHEMBL2802498

Cc1ccc(F)c(Nc2c(C(=O)N3CCC(c4ccccc4)CC3)cnc3c(Br)cnn23)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
IDO1 P14902 3/20 0.39
F11 P03951 1/20 0.38
SPR P35270 2/20 0.37
TP53 P04637 1/20 0.37
FASN P49327 1/20 0.37
PDE4B Q07343 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AVPR1A P37288 1/20 0.36
CCR3 P51677 1/20 0.36
MGLL Q99685 1/20 0.36
SCD5 Q86SK9 1/20 0.36
SIRT5 Q9NXA8 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
SCHEMBL2801655 0.92 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL2801190 0.92 TP53 (0.43) ALDH1A1LMNAMEN1KMT2AF11
SCHEMBL2803133 0.88 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL2799653 0.87 NPC1 (0.42) ALDH1A1KMT2AF11SPRTP53
SCHEMBL2799428 0.87 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL2801855 0.86 PDE4B (0.46) ALDH1A1KDM4EMEN1KMT2AF11
SCHEMBL2799735 0.86 FASN (0.40) ALDH1A1LMNAEGLN1TP53FASN
SCHEMBL2801491 0.86 DRD2 (0.45) ALDH1A1KDM4EKMT2AF11SPR
SCHEMBL2801518 0.85 CYP46A1 (0.36) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL2801671 0.85 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EMEN1KMT2A

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 243/4885LMNA 2418/4885KDM4E 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.