SCHEMBL2801450

SCHEMBL2801450

O=C(O)c1cnc2c(Br)cnn2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDR P35968 4/20 0.40
ABL1 P00519 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35

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
SCHEMBL2800357 0.78 NPC1 (0.56) KDM4EALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL28630088 0.73 KDM4E (0.43) KDM4EALDH1A1TDP1POLBL3MBTL1
SCHEMBL2800880 0.72 KDM4E (0.67) KDM4EALDH1A1TDP1POLBSMN1; SMN2
SCHEMBL2800561 0.71 SRC (0.47) KDM4EALDH1A1POLBL3MBTL1KDR
SCHEMBL2798658 0.70 PDE4B (0.52) KDM4EALDH1A1TDP1KDRNPC1
SCHEMBL31278276 0.70 KDM4E (0.41) KDM4EALDH1A1TDP1KDRABL1
SCHEMBL9770304 0.69 RXFP1 (0.39) KDM4EALDH1A1TDP1POLBL3MBTL1
SCHEMBL9165136 0.68 RAB9A (0.52) KDM4EALDH1A1POLBKDRSMN1; SMN2
SCHEMBL8992832 0.68 RAB9A (0.52) KDM4EALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL1759084 0.68 KDM4E (0.38) KDM4EALDH1A1TDP1POLBL3MBTL1

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 KDM4E 3180/4885ALDH1A1 243/4885TDP1 1594/4885

“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.