SCHEMBL2799653

SCHEMBL2799653

Cc1ccccc1Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(Br)cnn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4B Q07343 1/20 0.42
F11 P03951 1/20 0.42
SPR P35270 3/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
FASN P49327 2/20 0.40
TP53 P04637 1/20 0.39
SCD5 Q86SK9 3/20 0.39
MGLL Q99685 3/20 0.39
SIRT5 Q9NXA8 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL2801190 0.92 TP53 (0.43) NPC1RAB9AKMT2APDE4BF11
SCHEMBL2799428 0.91 ALDH1A1 (0.46) NPC1RAB9AKMT2APDE4BF11
SCHEMBL2801085 0.91 PDE4B (0.44) NPC1RAB9AKMT2APDE4BF11
SCHEMBL2800807 0.89 SIRT5 (0.43) KMT2APDE4BF11SPRALDH1A1
SCHEMBL2799808 0.89 MGLL (0.40) KMT2APDE4BF11SPRALDH1A1
SCHEMBL2798420 0.89 SIRT5 (0.49) NPC1RAB9ASPRALDH1A1L3MBTL1
SCHEMBL2803133 0.89 ALDH1A1 (0.43) NPC1RAB9AKMT2APDE4BF11
SCHEMBL2799813 0.89 SPR (0.43) NPC1RAB9AKMT2APDE4BF11
SCHEMBL2800540 0.89 TAS2R14 (0.43) PDE4BF11ALDH1A1FASN
SCHEMBL2802315 0.88 CASP1 (0.49) KMT2AALDH1A1L3MBTL1MGLL

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 NPC1 1787/4885RAB9A 3259/4885KMT2A 2175/4885

“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.