SCHEMBL2800486

SCHEMBL2800486

Cc1cc(F)ccc1Nc1c(C(=O)N2CCC3(CC2)CSc2ccccc23)cnc2c(C(=O)NS(=O)(=O)C3CC3)cnn12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CLK1 P49759 1/20 0.32
MRGPRX1 Q96LB2 1/20 0.32
SCN9A Q15858 3/20 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
PLAT P00750 1/20 0.31
MAPT P10636 1/20 0.31
RBP4 P02753 1/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL2801140 0.90 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MRGPRX1SCN9ASCN2B
SCHEMBL2800424 0.89 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2CLK1MAPTRBP4
SCHEMBL2800917 0.87 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2SCN9ASCN2BSCN1A
SCHEMBL2800359 0.86 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2MRGPRX1SCN9A
SCHEMBL2800835 0.86 MCHR2 (0.34) ALDH1A1SMN1; SMN2MRGPRX1
SCHEMBL2798544 0.85 KDM4E (0.37) ALDH1A1SMN1; SMN2MAPT
SCHEMBL2801429 0.79 ALDH1A1 (0.32) ALDH1A1MRGPRX1SCN9ASCN2BSCN1B
SCHEMBL2803095 0.78 AVPR1A (0.37) ALDH1A1SMN1; SMN2SCN9ASCN5AMAPT
SCHEMBL2801665 0.78 RBP4 (0.46) ALDH1A1SMN1; SMN2RBP4
SCHEMBL2801919 0.78 AVPR1A (0.37) ALDH1A1SMN1; SMN2MAPTRBP4

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 243/4885SMN1; SMN2 2769/4885CLK1 4185/4885

“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.