SCHEMBL694352

SCHEMBL694352

CNc1ccc(CNC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 1/20 0.49
PTPN1 P18031 1/20 0.49
LMNA P02545 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
FFAR1 O14842 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL11533429 0.85 CYP2C9 (0.65) NPC1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL13477518 0.84 KMT2A (0.61) NPC1SMN1; SMN2KMT2ARAB9APTPN1
SCHEMBL12466491 0.83 CYP1A2 (0.55) NPC1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL8602062 0.83 CYP2C9 (0.59) NPC1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL28038698 0.82 NPC1 (0.51) NPC1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL17979590 0.82 NPC1 (0.59) NPC1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3662909 0.81 SMN1; SMN2 (0.71) NPC1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL23928122 0.81 CNR1 (0.49) NPC1CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL21153099 0.81 TSHR (0.57) NPC1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL13024408 0.81 TPSAB1 (0.47) NPC1KMT2AMEN1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119306732-B Bioactive substance conjugate, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-04-25 CN disclosed
CN-113683622-B Bioactive substance conjugate, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-02-18 CN disclosed
CN-119306732-A Bioactive substance conjugate, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-01-14 CN disclosed
CN-119241554-A Bioactive substance conjugate, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-01-03 CN disclosed
CN-119219654-A Bioactive substance conjugate, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-12-31 CN disclosed
CN-110312730-B Cytotoxins and conjugates, uses thereof and methods of preparation 四川科伦博泰生物医药股份有限公司 2024-06-18 CN disclosed
US-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-12-28 US disclosed
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-06-11 US disclosed
EP-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed
EP-2421849-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Theravance, Inc. (US) 2012-02-29 EP disclosed
WO-2010123766-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND β2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE, INC. (US) 2010-10-28 WO disclosed
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 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 (3 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-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor CD2, HAVCR2, CD4 NPC1 2004/4885CYP1A2 4296/4885CYP2D6 2005/4885
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R NPC1 2308/4885CYP1A2 1259/4885CYP2D6 1673/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 NPC1 2004/4885CYP1A2 4296/4885CYP2D6 2005/4885

“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.