SCHEMBL2801626

SCHEMBL2801626

Fc1ccc(OCc2ccncc2)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
GLA P06280 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPK14 Q16539 2/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.47
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
ABCB1 P08183 1/20 0.44
HTT P42858 1/20 0.44
PTPN1 P18031 2/20 0.43
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2802308 0.87 FFAR1 (0.58) CYP1A2GLACYP3A4CYP2D6CYP2C9
SCHEMBL2113202 0.83 PKM (0.57) PKMSMN1; SMN2LMNAMAPTFFAR1
SCHEMBL16498643 0.79 LRRK2 (0.56) CYP1A2GLACYP3A4CYP2D6CYP2C9
SCHEMBL29690004 0.77 SMN1; SMN2 (0.50) CYP1A2GLACYP3A4CYP2D6CYP2C9
SCHEMBL18430834 0.77 CYP1A2 (0.45) CYP1A2GLACYP3A4CYP2D6CYP2C9
SCHEMBL29954070 0.77 LIPE (0.50) CYP1A2GLACYP3A4CYP2D6CYP2C9
SCHEMBL28771919 0.77 SMN1; SMN2 (0.50) CYP1A2GLACYP3A4CYP2D6CYP2C9
SCHEMBL24686580 0.74 MAOB (0.56) PKMSMN1; SMN2ALDH1A1FFAR1FFAR4
SCHEMBL2800511 0.74 ABCB1 (0.48) CYP1A2GLACYP3A4CYP2D6CYP2C9
SCHEMBL320787 0.73 HTT (0.52) CYP1A2GLACYP3A4CYP2D6CYP2C9

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 CYP1A2 1664/4885GLA 35/4885CYP3A4 4234/4885

“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.