SCHEMBL23212489

SCHEMBL23212489

Brc1nnc(-c2ccco2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
KDM4E B2RXH2 11/20 0.61
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
POLB P06746 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HSD17B10 Q99714 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
APAF1 O14727 1/20 0.48
NSD2 O96028 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HPGD P15428 2/20 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
SCHEMBL970071 0.78 ALDH1A1 (0.62) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL10054150 0.78 KDM4E (0.64) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL570555 0.78 ALDH1A1 (1.00) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL8536020 0.74 KDM4E (0.58) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL10272059 0.74 KDM4E (0.58) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL10220036 0.74 KDM4E (0.58) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL21823795 0.73 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL6693068 0.73 SIRT1 (0.58) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL2161746 0.72 KDM4E (0.64) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL8534280 0.72 KDM4E (0.55) ALDH1A1KDM4ENPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751439-A ATF6 modulators and uses thereof 阿尔托斯实验室公司 2025-04-04 CN disclosed
CN-115087656-B ATF6 modulators and uses thereof 阿尔托斯实验室公司 2024-12-13 CN disclosed
US-20230028584-A1 ATF6 MODULATORS AND USES THEREOF ALTOS LABS, INC. 2023-01-26 US disclosed
CN-115087656-A ATF6 modulators and uses thereof 普拉西斯生物技术有限责任公司 2022-09-20 CN disclosed
EP-4041728-A1 ATF6 MODULATORS AND USES THEREOF Praxis Biotech LLC (US) 2022-08-17 EP disclosed
WO-2021069721-A1 ATF6 MODULATORS AND USES THEREOF BLACK BELT TX LTD (GB) 2021-04-15 WO disclosed
WO-2021069721-A1 ATF6 MODULATORS AND USES THEREOF BLACK BELT TX LTD (GB) 2021-04-15 WO disclosed
US-20160361448-A1 CONTRAST AGENTS FOR APPLICATIONS INCLUDING PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2016-12-15 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-20160361448-A1 CONTRAST AGENTS FOR APPLICATIONS INCLUDING PERFUSION IMAGING MCOLN1, CNR1, SLC5A7 ALDH1A1 2116/4885KDM4E 4426/4885NPC1 169/4885
US-20230028584-A1 ATF6 MODULATORS AND USES THEREOF ATF4, XBP1, ATF1 ALDH1A1 3911/4885KDM4E 4378/4885NPC1 179/4885

“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.