SCHEMBL2801435

SCHEMBL2801435

CCOC(=O)c1cnn2c(Nc3cc(C)ccc3Cl)c(C(=O)O)cnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
KDM4E B2RXH2 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA5A P35218 2/20 0.46
CA9 Q16790 2/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 5/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
KDR P35968 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL2801361 0.92 NPC1 (0.53) NPC1RAB9AKDM4ESMN1; SMN2POLB
SCHEMBL2801353 0.90 KDM4E (0.52) NPC1RAB9AKDM4ESMN1; SMN2POLB
SCHEMBL2801447 0.89 KDM4E (0.50) NPC1RAB9AKDM4ESMN1; SMN2POLB
SCHEMBL14471952 0.84 CA12 (0.50) NPC1RAB9AKDM4ESMN1; SMN2POLB
SCHEMBL2800874 0.84 RAB9A (0.56) NPC1RAB9AKDM4ESMN1; SMN2POLB
SCHEMBL2800610 0.84 NPC1 (0.42) NPC1RAB9AKDM4ESMN1; SMN2POLB
SCHEMBL2801709 0.82 KDR (0.57) NPC1RAB9AKDM4ESMN1; SMN2CA12
SCHEMBL2803123 0.82 KDM4E (0.52) NPC1RAB9AKDM4ESMN1; SMN2POLB
SCHEMBL14471951 0.82 CA12 (0.48) NPC1RAB9AKDM4ESMN1; SMN2POLB
SCHEMBL2801306 0.82 NPC1 (0.41) NPC1RAB9AKDM4ESMN1; SMN2POLB

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.