SCHEMBL2802308

SCHEMBL2802308

Fc1ccc(Br)c(OCc2ccncc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.58
FFAR4 Q5NUL3 2/20 0.58
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
MAPK14 Q16539 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ABCB1 P08183 2/20 0.44
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HTT P42858 1/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 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
SCHEMBL2801626 0.87 CYP1A2 (0.54) FFAR1FFAR4CYP1A2GLACYP3A4
SCHEMBL320787 0.83 HTT (0.52) FFAR1FFAR4CYP1A2GLACYP3A4
SCHEMBL30660563 0.83 FFAR1 (0.65) FFAR1FFAR4SMN1; SMN2LMNAMAPT
SCHEMBL2577580 0.83 FFAR1 (0.65) FFAR1FFAR4SMN1; SMN2LMNAMAPT
SCHEMBL3110489 0.78 FFAR1 (0.51) FFAR1FFAR4SMN1; SMN2MAPTALDH1A1
SCHEMBL16498643 0.76 LRRK2 (0.56) FFAR1FFAR4CYP1A2GLACYP3A4
SCHEMBL24133536 0.74 MAOB (0.56) FFAR1FFAR4SMN1; SMN2HTTMEN1
SCHEMBL2800511 0.74 ABCB1 (0.48) CYP1A2GLACYP3A4CYP2D6CYP2C9
SCHEMBL24746007 0.74 SMN1; SMN2 (0.46) CYP1A2GLACYP3A4CYP2D6CYP2C9
SCHEMBL29954070 0.74 LIPE (0.50) FFAR1FFAR4CYP1A2GLACYP3A4

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 FFAR1 4453/4885FFAR4 4478/4885CYP1A2 1664/4885

“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.