SCHEMBL28567553

SCHEMBL28567553

O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 1.00
RAB9A P51151 9/20 1.00
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
POLB P06746 1/20 1.00
STAT3 P40763 9/20 0.75
PKM P14618 4/20 0.66
MAPT P10636 4/20 0.66
HTT P42858 3/20 0.66
ALDH1A1 P00352 2/20 0.66
LMNA P02545 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
MLNR O43193 1/20 0.66
NR1I2 O75469 1/20 0.66
ABCB11 O95342 1/20 0.66
TP53 P04637 1/20 0.66
ADRB2 P07550 1/20 0.66
CHRM2 P08172 1/20 0.66
ADRB1 P08588 1/20 0.66

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
SCHEMBL30505237 0.88 NPC1 (0.78) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL11154311 0.87 STAT3 (0.79) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL10352454 0.86 NPC1 (0.76) NPC1RAB9AMEN1KMT2APOLB
Tizoxanide SCHEMBL375440 0.86 STAT3 (1.00) NPC1RAB9AMEN1KMT2APOLB
Tizoxanide SCHEMBL29367981 0.86 STAT3 (1.00) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL29056922 0.86 STAT3 (0.77) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL28914964 0.85 STAT3 (0.75) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL11160505 0.85 STAT3 (0.80) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL30142722 0.85 STAT3 (0.75) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL11154084 0.85 STAT3 (0.75) NPC1RAB9AMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
CN-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 CN disclosed
CN-116456980-A Application of thiazole compounds in preparation of medicines for treating and preventing cancers 北京大学 2023-07-18 CN disclosed
EP-4157888-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS Cullgen (Shanghai), Inc. (CN) 2023-04-05 EP disclosed
US-20230057177-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2023-02-23 US disclosed
CN-112957358-A Application of nitazoxanide and derivatives thereof in preparing medicines for preventing and treating bone destructive diseases 北京大学第三医院(北京大学第三临床医学院) 2021-06-15 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 (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-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 NPC1 3949/4885RAB9A 3280/4885MEN1 3254/4885
US-20230057177-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 NPC1 3949/4885RAB9A 3280/4885MEN1 3254/4885

“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.