SCHEMBL22551271

SCHEMBL22551271

CNc1ccc(COC(=O)NC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
APP P05067 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NAAA Q02083 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRB P23467 1/20 0.39
ACP1 P24666 1/20 0.39
CTSS P25774 1/20 0.39
NR2F2 P24468 1/20 0.39
MAPT P10636 2/20 0.38
NAMPT P43490 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL27571682 0.85 TSHR (0.51) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22855959 0.84 MEN1 (0.55) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28861927 0.83 NPC1 (0.51) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27811154 0.83 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL20160133 0.83 TOP2A (0.49) MEN1KMT2ASMN1; SMN2L3MBTL1APP
SCHEMBL4019989 0.82 TPSAB1 (0.54) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28861926 0.82 MAPT (0.56) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2173527 0.82 MEN1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27805750 0.82 MEN1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1APP
SCHEMBL27698218 0.82 KMT2A (0.61) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11970506-B2 Bioactive molecule conjugate, preparation method and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2024-04-30 US disclosed
US-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-11-09 US disclosed
US-20210101906-A2 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-04-08 US disclosed
US-20200347075-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-11-05 US disclosed
EP-3725798-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-21 EP disclosed
CN-110312730-A Cytotoxin and conjugate, its Use and preparation method 四川科伦博泰生物医药股份有限公司 2019-10-08 CN disclosed
CN-103936716-B Tool muscarinic receptor antagonists and the diamide compound of beta 2 adrenoreceptor agonists activity 施万呼吸有限责任公司 2016-09-07 CN disclosed
CN-103936716-A Diamide compounds having muscarinic receptor antagonist and beta 2 adrenoceptor agonist activity THERAVANCE INC 2014-07-23 CN disclosed
CN-102405218-B Muscarinic receptor antagonists and beta2Diamide compounds having adrenergic receptor agonist activity THERAVANCE INC 2014-06-04 CN disclosed
CN-102405218-A Muscarinic receptor antagonists and beta2Diamide compounds having adrenergic receptor agonist activity THERAVANCE INC 2012-04-04 CN disclosed
CN-1738798-A Indole derivatives as somatostatin agonists or antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-22 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 (4 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-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA MEN1 886/4885KMT2A 3498/4885SMN1; SMN2 853/4885
US-11970506-B2 Bioactive molecule conjugate, preparation method and use thereof PIGO, RHOA, GUSB MEN1 1659/4885KMT2A 3060/4885SMN1; SMN2 1383/4885
US-20200347075-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA MEN1 886/4885KMT2A 3498/4885SMN1; SMN2 853/4885
US-20210101906-A2 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA MEN1 886/4885KMT2A 3498/4885SMN1; SMN2 853/4885

“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.