SCHEMBL2801665

SCHEMBL2801665

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.46
HPGDS O60760 1/20 0.38
ALDH1A1 P00352 5/20 0.36
PDE4B Q07343 1/20 0.36
ADRA1A P35348 2/20 0.36
MCHR1 Q99705 2/20 0.36
OPRL1 P41146 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAPK1 P28482 1/20 0.35
KRAS P01116 1/20 0.35
HPGD P15428 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2800975 0.91 RBP4 (0.37) RBP4HPGDSALDH1A1ADRA1AMCHR1
SCHEMBL2801267 0.91 RBP4 (0.51) RBP4HPGDSALDH1A1PDE4BOPRL1
SCHEMBL2800424 0.89 ALDH1A1 (0.36) RBP4ALDH1A1PDE4BSMN1; SMN2MAPK1
SCHEMBL2801140 0.88 ALDH1A1 (0.35) RBP4HPGDSALDH1A1SMN1; SMN2KRAS
SCHEMBL2800205 0.88 RBP4 (0.46) RBP4HPGDSALDH1A1PDE4BADRA1A
SCHEMBL2799803 0.85 PDE4B (0.38) ALDH1A1PDE4BSMN1; SMN2MAPK1
SCHEMBL2802357 0.85 PDE4B (0.35) ALDH1A1PDE4BSMN1; SMN2MAPK1
SCHEMBL2800771 0.84 SMN1; SMN2 (0.36) ALDH1A1PDE4BSMN1; SMN2MAPK1
SCHEMBL2801869 0.84 MCHR2 (0.37) ALDH1A1PDE4BSMN1; SMN2MAPK1HSD11B1
SCHEMBL2799530 0.84 IDO1 (0.36) ALDH1A1PDE4BSMN1; SMN2MAPK1

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 RBP4 92/4885HPGDS 1570/4885ALDH1A1 243/4885

“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.