SCHEMBL25301682

SCHEMBL25301682

Cc1nc(CC(=O)O)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 4/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GABRA5 P31644 1/20 0.37
GABRB2 P47870 1/20 0.37
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
THRB P10828 1/20 0.34

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
SCHEMBL30484050 1.00 RAB9A (0.42) RAB9AALDH1A1KDM4EPOLBTDP1
SCHEMBL24184126 0.80 MEN1 (0.46) ALDH1A1KDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL27895593 0.78 GABRA5 (0.49) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL26089258 0.78 AKR1B1 (0.41) RAB9AALDH1A1KDM4EPOLBTDP1
SCHEMBL28600526 0.77 MBOAT4 (0.42) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL30325986 0.76 CCR1 (0.46) RAB9AALDH1A1KDM4ENPC1MAPK1
SCHEMBL1577789 0.76 CCR1 (0.46) RAB9AALDH1A1KDM4ENPC1MAPK1
SCHEMBL4549698 0.74 SMN1; SMN2 (0.40) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL30484020 0.73 RAB9A (0.38) RAB9AALDH1A1NPC1MAPK1SMN1; SMN2
SCHEMBL25255231 0.73 RAB9A (0.38) RAB9AALDH1A1NPC1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240366770-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE SWITZERLAND GMBH (CH) 2024-11-07 US disclosed
WO-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
WO-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
CN-104926801-A Substituted nitrogen heterocyclic derivative, pharmaceutical composition containing the same and application thereof in tumor resistance UNIV ZHEJIANG 2015-09-23 CN 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-20240366770-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BTK, CBL, LYN RAB9A 2747/4885ALDH1A1 4351/4885KDM4E 983/4885

“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.