SCHEMBL2802578

SCHEMBL2802578

O=C(c1cnc2c(Br)cnn2c1Nc1ccccc1-c1ccccc1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 8/20 0.42
SCD O00767 3/20 0.40
CCR5 P51681 2/20 0.40
KDR P35968 1/20 0.39
SIRT5 Q9NXA8 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SLC6A7 Q99884 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MGLL Q99685 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2798969 0.91 SCD5 (0.44) SCD5SCDCCR5SIRT5ALDH1A1
SCHEMBL2798420 0.88 SIRT5 (0.49) CCR5SIRT5ALDH1A1L3MBTL1CA12
SCHEMBL2799653 0.88 NPC1 (0.42) SCD5SIRT5ALDH1A1L3MBTL1CA12
SCHEMBL2799808 0.86 MGLL (0.40) SCD5CCR5SIRT5ALDH1A1L3MBTL1
SCHEMBL2802315 0.86 CASP1 (0.49) CCR5ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL2800807 0.85 SIRT5 (0.43) SIRT5ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL2801671 0.84 ALDH1A1 (0.43) CCR5SIRT5ALDH1A1LMNAKDM4E
SCHEMBL2803133 0.84 ALDH1A1 (0.43) CCR5SIRT5ALDH1A1L3MBTL1LMNA
SCHEMBL2799813 0.84 SPR (0.43) SCD5SIRT5ALDH1A1L3MBTL1CA12
SCHEMBL2801190 0.84 TP53 (0.43) SCD5SIRT5ALDH1A1L3MBTL1LMNA

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 SCD5 3304/4885SCD 4594/4885CCR5 4565/4885

“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.