SCHEMBL178522

SCHEMBL178522

C[C@H](Nc1ccc(-c2ccoc2C(=O)NN)cc1)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.40
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
ERBB2 P04626 1/20 0.36
KDR P35968 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
GCGR P47871 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 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
SCHEMBL27851926 1.00 GCG (0.40) GCGHTTALDH1A1LMNAHDAC3
SCHEMBL12951708 0.89 ALDH1A1 (0.41) HTTALDH1A1LMNAHDAC3HDAC1
SCHEMBL178524 0.85 SLC6A4 (0.42) GCGHTTALDH1A1LMNAGCGR
SCHEMBL12951577 0.81 NPC1 (0.38) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL12951574 0.81 NPC1 (0.38) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL745384 0.76 AKR1C3 (0.43)
SCHEMBL141046 0.72 MAPT (0.37) ALDH1A1GCGRKDM4EKMT2AMEN1
SCHEMBL4285451 0.71 MAPT (0.43) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL746600 0.69 ADRB1 (0.46) GCGALDH1A1
SCHEMBL3976975 0.69 KDM4E (0.49) ALDH1A1LMNAHDAC1HDAC6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459215-B 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmacy acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2016-03-02 CN 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
CN-102459215-A 3- (4-aminophenyl) -2-furancarboxylic acid derivatives and pharmaceutically acceptable salts thereof DAINIPPON SUMITOMO PHARMA CO 2012-05-16 CN 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 GCG 3815/4885HTT 3325/4885ALDH1A1 96/4885

“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.