SCHEMBL2801684

SCHEMBL2801684

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
MT-CO2 P00403 1/20 0.45
TTR P02766 1/20 0.45
PLA2G1B P04054 1/20 0.45
CYP1A2 P05177 1/20 0.45
PGR P06401 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
AR P10275 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
HTR2A P28223 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRA1A P35348 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL2801102 0.93 SIRT5 (0.50) MAPTHPGDSIRT5DHODHSPR
SCHEMBL2800807 0.91 SIRT5 (0.43) LMNAMEN1USP2MT-CO2TTR
SCHEMBL2800090 0.90 ALDH1A1 (0.42) LMNAMEN1MAPTHPGDKMT2A
SCHEMBL2801085 0.89 PDE4B (0.44) MAPTKMT2ASIRT5DHODHSPR
SCHEMBL2801637 0.89 SIRT5 (0.41) LMNAMAPTSIRT5SPRTP53
SCHEMBL2800415 0.89 SIRT5 (0.43) LMNAMAPTSIRT5SPRTP53
SCHEMBL2800506 0.87 KMT2A (0.41) LMNAMEN1MAPTKMT2ASIRT5
SCHEMBL2800588 0.87 ALDH1A1 (0.42) LMNAMEN1MAPTKMT2ASIRT5
SCHEMBL2800844 0.86 SPR (0.42) MAPTSIRT5SPRTP53F11
SCHEMBL2803347 0.86 SPR (0.41) MAPTKMT2ASIRT5SPRF11

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 LMNA 2418/4885MEN1 3065/4885USP2 4168/4885

“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.