SCHEMBL2801299

SCHEMBL2801299

CCOC(=O)c1cnn2c(Cl)c(C(=O)N3CCC4(CC3)COc3ccccc34)cnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.47
IDO1 P14902 1/20 0.45
KDM4E B2RXH2 8/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 5/20 0.39
HSD17B10 Q99714 4/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
STAT1 P42224 1/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL2802452 0.91 AVPR1A (0.44) AVPR1AIDO1KDM4ERAB9ANPC1
SCHEMBL2801509 0.89 KDM4E (0.41) AVPR1AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL2803207 0.88 NPC1 (0.41) AVPR1AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL2800592 0.87 KDM4E (0.41) AVPR1AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL2800441 0.85 KDM4E (0.45) IDO1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL2801873 0.84 KDM4E (0.44) KDM4ERAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL2803190 0.84 AVPR1A (0.40) AVPR1AIDO1KDM4ERAB9ANPC1
SCHEMBL2803317 0.84 KDR (0.44) AVPR1AIDO1KDM4ERAB9ANPC1
SCHEMBL2801064 0.84 AVPR1A (0.39) AVPR1AIDO1KDM4ERAB9ANPC1
SCHEMBL2800216 0.82 AVPR1A (0.41) AVPR1AIDO1KDM4ERAB9ANPC1

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 AVPR1A 4789/4885IDO1 2086/4885KDM4E 3180/4885

“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.