SCHEMBL2801238

SCHEMBL2801238

Cc1cccc(Nc2c(C(=O)N3CCC(c4ccccc4)CC3)cnc3c(C(=O)O)cnn23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
KDR P35968 2/20 0.46
PDE4B Q07343 3/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 3/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SPR P35270 3/20 0.41
F11 P03951 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL2798999 0.93 KDR (0.43) DRD2DRD4DRD3KDRPDE4B
SCHEMBL2801491 0.91 DRD2 (0.45) DRD2DRD4DRD3KDRPDE4B
SCHEMBL2801606 0.90 PDE4B (0.48) PDE4BRAB9ANPC1KMT2ATP53
SCHEMBL2802494 0.89 DRD2 (0.42) DRD2DRD4DRD3KDRPDE4B
SCHEMBL2800042 0.87 PDE4B (0.43) PDE4BRAB9ANPC1KMT2ATP53
SCHEMBL2799436 0.87 TP53 (0.44) PDE4BRAB9ANPC1KMT2ATP53
SCHEMBL2800415 0.85 SIRT5 (0.43) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL2801655 0.85 ALDH1A1 (0.41) PDE4BRAB9ANPC1KMT2ATP53
SCHEMBL2801085 0.85 PDE4B (0.44) PDE4BRAB9ANPC1KMT2ATP53
SCHEMBL2801662 0.84 TP53 (0.42) DRD2DRD4DRD3KDRRAB9A

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 DRD2 4861/4885DRD4 4752/4885DRD3 4787/4885

“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.