SCHEMBL2801720

SCHEMBL2801720

CCOC(=O)c1cnc2c(Br)cnn2c1Nc1ccc(F)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PDE4B Q07343 1/20 0.42
MAPT P10636 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
THRB P10828 1/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA5A P35218 3/20 0.41
CA9 Q16790 3/20 0.41
TP53 P04637 2/20 0.40

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
SCHEMBL2801682 0.89 KDM4E (0.50) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL2801103 0.87 NPC1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2799825 0.87 PDE4B (0.43) ALDH1A1GAAKDM4EPDE4B
SCHEMBL2799881 0.86 KDM4E (0.50) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL14471718 0.86 ALDH1A1 (0.44) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL2803400 0.85 LMNA (0.46) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL2803195 0.84 NPC1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14471655 0.84 ALDH1A1 (0.42) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL14471746 0.83 ALDH1A1 (0.43) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL14471715 0.82 THRB (0.41) ALDH1A1GAANPC1RAB9ASMN1; SMN2

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 ALDH1A1 243/4885GAA 336/4885NPC1 1787/4885

“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.