SCHEMBL107248

SCHEMBL107248

COC(=O)c1occc1-c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.53
PRKCZ Q05513 1/20 0.48
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 2/20 0.43
SLC6A4 P31645 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL8791512 0.85 ALDH1A1 (0.48) SLC6A3MAPTTP53RAB9ASLC6A4
SCHEMBL28372418 0.84 SLC6A3 (0.41) SLC6A3MAPTRAB9ASLC6A4CHRM2
SCHEMBL9672778 0.83 HTT (0.46) SLC6A3PRKCZRAB9ASLC6A4KDM4E
SCHEMBL8791464 0.83 CHRM2 (0.39) SLC6A3MAPTRAB9ASLC6A4CHRM2
SCHEMBL27605308 0.80 PTPN1 (0.41) SLC6A3MAPTKDM4EALDH1A1HPGD
SCHEMBL10434450 0.78 LMNA (0.45) SLC6A3PRKCZRAB9AKDM4EALDH1A1
SCHEMBL2417181 0.75 CHRNB2 (0.41) MAPTTP53KDM4EALDH1A1KMT2A
SCHEMBL31325669 0.74 ALDH1A1 (0.45) PRKCZMAPTTP53RAB9AKDM4E
SCHEMBL31325662 0.74 HSD17B10 (0.40) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL178524 0.72 SLC6A4 (0.42) SLC6A3MAPTRAB9ASLC6A4KDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
WO-2010131669-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2010-11-18 WO 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-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 SLC6A3 532/4885PRKCZ 3618/4885MAPT 4636/4885

“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.