SCHEMBL26564752

SCHEMBL26564752

CCc1cccc(-c2cc(OC)nc3ccc(Br)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
PRNP P04156 2/20 0.45
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LTB4R Q15722 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
PPARG P37231 1/20 0.35
NR2E3 Q9Y5X4 1/20 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
SCHEMBL25652546 0.89 L3MBTL1 (0.48) L3MBTL1PRNPMAPTRXFP1LTB4R
SCHEMBL25652551 0.87 L3MBTL1 (0.46) L3MBTL1PRNPMAPTRXFP1LTB4R
SCHEMBL14570639 0.84 PRNP (0.57) L3MBTL1PRNPMAPTRXFP1LTB4R
SCHEMBL6171945 0.84 MAPT (0.50) L3MBTL1PRNPMAPTCYP1A2CYP2D6
SCHEMBL26565172 0.84 L3MBTL1 (0.49) L3MBTL1PRNPMAPTRXFP1ALDH1A1
SCHEMBL25259300 0.83 L3MBTL1 (0.41) L3MBTL1PRNPMAPTLTB4RSMN1; SMN2
SCHEMBL31059229 0.83 L3MBTL1 (0.41) L3MBTL1PRNPMAPTLTB4RSMN1; SMN2
SCHEMBL6170480 0.83 LTB4R (0.45) L3MBTL1PRNPMAPTLTB4RSMN1; SMN2
SCHEMBL25269537 0.82 L3MBTL1 (0.40) L3MBTL1PRNPMAPTLTB4RALDH1A1
SCHEMBL31059237 0.82 L3MBTL1 (0.40) L3MBTL1PRNPMAPTLTB4RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same KURA ONCOLOGY, INC. (US) 2024-06-25 US disclosed
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME WUXI APPTEC (HONG KONG) LIMITED (CN) 2023-10-12 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 (2 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-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same FNTA, FDPS, GGPS1 L3MBTL1 4194/4885PRNP 4290/4885MAPT 4146/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 L3MBTL1 4194/4885PRNP 4290/4885MAPT 4146/4885

“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.