SCHEMBL26564809

SCHEMBL26564809

COc1cccc(C(=O)c2cc(Br)ccc2NC(C)=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.51
AKR1C2 P52895 2/20 0.51
AKR1C1 Q04828 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.48
MCL1 Q07820 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 1/20 0.48
FPR1 P21462 1/20 0.47

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
SCHEMBL31253418 1.00 MAPT (0.53) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL26565407 0.86 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAAKR1C2
SCHEMBL11827919 0.83 MAPT (0.76) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL1757918 0.82 ALDH1A1 (0.61) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL5618630 0.82 TSHR (0.56) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL25223545 0.80 MAPT (0.63) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL25653103 0.80 CES2 (0.53) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL6352473 0.80 AKR1C2 (0.77) MAPTALDH1A1SMN1; SMN2TSHRAKR1C2
SCHEMBL4680433 0.79 CYP2C8 (0.59) MAPTALDH1A1LMNAAKR1C2AKR1C1
SCHEMBL4675271 0.79 CYP2C8 (0.59) MAPTALDH1A1LMNAAKR1C2AKR1C1

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
WO-2024137751-A1 METHODS OF TREATING ADVANCED SOLID TUMORS KURA ONCOLOGY, INC. (US) 2024-06-27 WO disclosed
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-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
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 MAPT 4146/4885ALDH1A1 3460/4885SMN1; SMN2 4108/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 MAPT 4146/4885ALDH1A1 3460/4885SMN1; SMN2 4108/4885

“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.