SCHEMBL23448671

SCHEMBL23448671

COc1ccc(Cn2cc3c(Br)cc(C(=O)O)cc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.44
ADORA3 P0DMS8 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK10 P53779 1/20 0.42
ADORA2B P29275 1/20 0.42
MMP13 P45452 3/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
HDAC1 Q13547 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RHEB Q15382 1/20 0.40
CHRM1 P11229 1/20 0.39

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
SCHEMBL23448681 0.90 ALDH1A1 (0.47) ADORA3RAB9AALDH1A1MAPK10ADORA2B
SCHEMBL25592852 0.85 KDM4A (0.42) PTGER4KMT2ANPC1RAB9AALDH1A1
SCHEMBL25592835 0.82 MEN1 (0.45) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL23448677 0.81 AADAT (0.42) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL23421803 0.79 GRM2 (0.44) KMT2ARAB9AMEN1ALDH1A1MAPK10
SCHEMBL7977921 0.78 KDM4E (0.50) PTGER4ADORA3KMT2ANPC1RAB9A
SCHEMBL23448676 0.77 HDAC3 (0.44) ADORA3NPC1ADORA2BSMN1; SMN2CACNA1G
SCHEMBL25334568 0.77 NPC1 (0.54) ADORA3KMT2ANPC1RAB9AMEN1
SCHEMBL3125465 0.75 KMT2A (0.53) PTGER4ADORA3KMT2ANPC1RAB9A
SCHEMBL370320 0.74 KMT2A (0.54) ADORA3KMT2ANPC1RAB9AMEN1

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
CN-114845996-B Benzene ring-containing compound and application thereof 武汉朗来科技发展有限公司 2023-09-12 CN disclosed
US-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-06-15 US disclosed
US-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-06-15 US disclosed
CN-114845996-A Compound containing benzene ring and application thereof 武汉朗来科技发展有限公司 2022-08-02 CN disclosed
WO-2021104486-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2021-06-03 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-20230183182-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF P2RX4, P2RX7, P2RX2 PTGER4 915/4885ADORA3 401/4885KMT2A 4083/4885

“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.