SCHEMBL2801671

SCHEMBL2801671

O=C(c1cnc2c(Br)cnn2c1Nc1cccc(F)c1Cl)N1CCC(c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
MGLL Q99685 4/20 0.40
SIRT5 Q9NXA8 1/20 0.40
EGLN1 Q9GZT9 2/20 0.40
SPR P35270 1/20 0.38
IDO1 P14902 2/20 0.38
AVPR1A P37288 1/20 0.37
CCKBR P32239 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
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
SCHEMBL2800588 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL2803133 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL2798420 0.89 SIRT5 (0.49) ALDH1A1MGLLSIRT5EGLN1SPR
SCHEMBL2800807 0.87 SIRT5 (0.43) ALDH1A1MEN1LMNAKMT2AMGLL
SCHEMBL2801106 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL2799653 0.85 NPC1 (0.42) ALDH1A1KMT2AMGLLSIRT5SPR
SCHEMBL2802498 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL2802578 0.84 SCD5 (0.42) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL2798936 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL2801762 0.84 EGLN1 (0.39) ALDH1A1KDM4EMEN1LMNAKMT2A

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 243/4885KDM4E 3180/4885MEN1 3065/4885

“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.