SCHEMBL26970720

SCHEMBL26970720

O=C(O)CCc1ncc(Br)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
P4HTM Q9NXG6 1/20 0.42
FFAR1 O14842 4/20 0.41
FFAR4 Q5NUL3 2/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KEAP1 Q14145 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
PDE5A O76074 1/20 0.37
PDE9A O76083 1/20 0.37
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36

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
SCHEMBL18860995 0.78 ALDH1A1 (0.42) TSHRP4HTMFFAR1ALDH1A1KDM4E
SCHEMBL241757 0.76 ALDH1A1 (0.48) P4HTMFFAR1ALDH1A1KEAP1NPSR1
SCHEMBL2886185 0.75 RAB9A (0.36) TSHRALDH1A1KDM4EHSD17B10
SCHEMBL3515895 0.75 FFAR1 (0.55) TSHRP4HTMFFAR1FFAR4ALDH1A1
SCHEMBL21293608 0.74 CYP1A2 (0.47) TSHRALDH1A1KDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL22775406 0.74 ALDH1A1 (0.47) P4HTMFFAR1ALDH1A1KDM4EKEAP1
SCHEMBL17866361 0.74 KEAP1 (0.41) P4HTMFFAR1ALDH1A1KEAP1NPSR1
SCHEMBL15773979 0.73 NPSR1 (0.44) TSHRP4HTMFFAR1FFAR4ALDH1A1
SCHEMBL15265551 0.73 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL26970722 0.71 KDM4E (0.39) TSHRFFAR1ALDH1A1KDM4EPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416281-A1 METHOD FOR PRODUCING (2-METHYLPYRIMIDIN-5-YL)BORONIC ACID DERIVATIVE KANEKA CORPORATION (JP) 2023-12-28 US 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-20230416281-A1 METHOD FOR PRODUCING (2-METHYLPYRIMIDIN-5-YL)BORONIC ACID DERIVATIVE DPYD, BPGM, TPMT TSHR 2692/4885P4HTM 3289/4885FFAR1 4213/4885

“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.