SCHEMBL23448677

SCHEMBL23448677

COc1ccc(Cn2cc3c(Br)cc(N)cc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.42
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
KLKB1 P03952 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MAT2A P31153 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL25592835 0.86 MEN1 (0.45) AADATMEN1KMT2ANPC1RAB9A
SCHEMBL23420551 0.83 LMNA (0.47) MEN1KMT2ANPC1RAB9APTGS2
SCHEMBL23448671 0.81 PTGER4 (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL23448681 0.80 ALDH1A1 (0.47) RAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL22912925 0.78 PARK7 (0.41) AADATMEN1KMT2ANPC1RAB9A
SCHEMBL27331396 0.77 ADRB2 (0.40) AADATMEN1KMT2ANPC1RAB9A
SCHEMBL16784448 0.77 KMT2A (0.57) AADATMEN1KMT2ANPC1RAB9A
SCHEMBL23448676 0.74 HDAC3 (0.44) AADATNPC1L3MBTL1
SCHEMBL25027880 0.74 PTGS2 (0.45) AADATMEN1KMT2ANPC1RAB9A
SCHEMBL22912916 0.73 MEN1 (0.45) AADATMEN1KMT2ANPC1RAB9A

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 AADAT 1799/4885MEN1 2798/4885KMT2A 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.