SCHEMBL2801330

SCHEMBL2801330

CC1=CC2(CCN(C(=O)c3cnc4c(C(=O)O)cnn4c3NCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SRC P12931 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
HTR1A P08908 1/20 0.34
SPR P35270 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A7 Q99884 1/20 0.34
HPGD P15428 1/20 0.34
CYP46A1 Q9Y6A2 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2800913 0.92 CCNA2 (0.43) L3MBTL1ADORA3ADORA2AADORA1KDM4E
SCHEMBL2799969 0.92 ALDH1A1 (0.34) VNN1HTR1ASPRKDM4EALDH1A1
SCHEMBL2801253 0.83 FFAR1 (0.40) ADORA3ADORA2AADORA1
SCHEMBL2800787 0.83 ALDH1A1 (0.42) VNN1L3MBTL1SRCADORA3ADORA2A
SCHEMBL2802390 0.83 NPY5R (0.47)
SCHEMBL2800849 0.82 SRC (0.35) VNN1SRCADORA3ADORA2AADORA1
SCHEMBL2802606 0.81 RBP4 (0.49) SRCADORA3ADORA2AADORA1ALDH1A1
SCHEMBL2802782 0.80 SRC (0.38) VNN1SRCADORA3ADORA2AADORA1
SCHEMBL2799515 0.80 ADORA3 (0.37) VNN1SRCADORA3ADORA2AADORA1
SCHEMBL2802426 0.79 IDO1 (0.43) SRCADORA3ADORA2AADORA1KDM4E

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 VNN1 1063/4885L3MBTL1 3733/4885SRC 722/4885

“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.