SCHEMBL2800511

SCHEMBL2800511

Fc1cccc(OCc2ccncc2)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK14 Q16539 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 2/20 0.42
KDM1A O60341 2/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 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
SCHEMBL2113201 0.85 MAPT (0.55) MAPK14NPC1KDM1AMAOBMAPT
SCHEMBL30674557 0.85 MAPT (0.55) MAPK14NPC1KDM1AMAOBMAPT
SCHEMBL22989897 0.78 MAOB (0.51) ABCB1MEN1KMT2ANPC1RAB9A
SCHEMBL2801486 0.77 SMN1; SMN2 (0.46) ABCB1SMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL2801626 0.74 CYP1A2 (0.54) ABCB1SMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL2802308 0.74 FFAR1 (0.58) ABCB1SMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL4535910 0.72 L3MBTL1 (0.55) SMN1; SMN2ALDH1A1LMNACYP1A2GLA
SCHEMBL21953183 0.71 TDP1 (0.64) MAPK14MAOBMAPT
SCHEMBL921724 0.71 SMN1; SMN2 (0.50) ABCB1SMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL16179018 0.70 L3MBTL1 (0.41) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6

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 5 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
CN-101878217-A Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO LTD 2010-11-03 CN 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 ABCB1 1336/4885SMN1; SMN2 2769/4885ALDH1A1 243/4885

“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.