SCHEMBL2801639

SCHEMBL2801639

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.42
TP53 P04637 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.37
SCD5 Q86SK9 1/20 0.37
F11 P03951 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
SPR P35270 1/20 0.35

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
SCHEMBL2801797 0.91 KDM4E (0.43) PDE4BTP53ALDH1A1KDM4EHPGD
SCHEMBL2801755 0.89 PDE4B (0.37) PDE4BTP53POLBALDH1A1KDM4E
SCHEMBL2803120 0.86 PDE4B (0.37) PDE4BTP53ALDH1A1KDM4ELMNA
SCHEMBL2801267 0.83 RBP4 (0.51) PDE4BTP53POLBALDH1A1KDM4E
SCHEMBL2801085 0.83 PDE4B (0.44) PDE4BTP53POLBALDH1A1KDM4E
SCHEMBL2800858 0.83 TP53 (0.42) PDE4BTP53POLBALDH1A1KDM4E
SCHEMBL2800436 0.83 NPC1L1 (0.39) PDE4BTP53
SCHEMBL2801799 0.83 IDO1 (0.43) PDE4BTP53POLBALDH1A1KDM4E
SCHEMBL2799803 0.82 PDE4B (0.38) PDE4BALDH1A1SCD5F11SMN1; SMN2
SCHEMBL2801610 0.81 PKM (0.49) PDE4BTP53POLBKDM4ELMNA

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 PDE4B 1603/4885TP53 241/4885POLB 2360/4885

“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.