SCHEMBL2801140

SCHEMBL2801140

Cc1cc(F)ccc1Nc1c(C(=O)N2CCC3(CCc4ccccc43)CC2)cnc2c(C(=O)NS(=O)(=O)C3CC3)cnn12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
RBP4 P02753 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KRAS P01116 1/20 0.34
HPGDS O60760 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.33
HPGD P15428 1/20 0.32
SCN9A Q15858 2/20 0.32
SCN2B O60939 1/20 0.32
SCN1A P35498 1/20 0.32
SCN1B Q07699 1/20 0.32
SCN5A Q14524 1/20 0.32
HSD11B1 P28845 1/20 0.32
PLAT P00750 1/20 0.32

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
SCHEMBL2800486 0.90 ALDH1A1 (0.35) ALDH1A1RBP4SMN1; SMN2MRGPRX1SCN9A
SCHEMBL2801665 0.88 RBP4 (0.46) ALDH1A1RBP4SMN1; SMN2KRASHPGDS
SCHEMBL2800917 0.87 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2SCN9ASCN2BSCN1A
SCHEMBL2800359 0.87 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2MRGPRX1SCN9A
SCHEMBL2800835 0.86 MCHR2 (0.34) ALDH1A1SMN1; SMN2MRGPRX1
SCHEMBL2800975 0.85 RBP4 (0.37) ALDH1A1RBP4SMN1; SMN2KRASHPGDS
SCHEMBL2800950 0.83 RBP4 (0.39) RBP4KRASHPGDSHPGDHSD11B1
SCHEMBL2801254 0.80 ADRA1A (0.36) ALDH1A1RBP4KRASHPGDS
SCHEMBL2801267 0.80 RBP4 (0.51) ALDH1A1RBP4KRASHPGDSHPGD
SCHEMBL2801429 0.80 ALDH1A1 (0.32) ALDH1A1MRGPRX1HPGDSCN9ASCN2B

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 243/4885RBP4 92/4885SMN1; SMN2 2769/4885

“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.