SCHEMBL2800610

SCHEMBL2800610

CCOC(=O)c1cnn2c(Nc3cc(C)ccc3Cl)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
KDM4E B2RXH2 5/20 0.42
IGF1R P08069 1/20 0.42
SIRT5 Q9NXA8 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 4/20 0.40
KDR P35968 1/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 3/20 0.40
STAT1 P42224 1/20 0.40
P2RY12 Q9H244 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL2800432 0.92 KDM4E (0.41) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL2800415 0.91 SIRT5 (0.43) NPC1RAB9ASIRT5SMN1; SMN2NFKB1
SCHEMBL2799996 0.87 SIRT5 (0.40) NPC1RAB9ASIRT5SMN1; SMN2NFKB1
SCHEMBL2800704 0.86 KDM4E (0.43) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL2801306 0.86 NPC1 (0.41) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL2797885 0.85 KDM4E (0.42) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL2799695 0.85 KDM4E (0.41) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL2799430 0.85 NPC1 (0.41) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL2801075 0.84 KDM4E (0.48) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL2801435 0.84 NPC1 (0.53) NPC1RAB9AKDM4ESMN1; SMN2NFKB1

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 NPC1 1787/4885RAB9A 3259/4885KDM4E 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.