SCHEMBL4434629

SCHEMBL4434629

ClCc1cn(-c2ccccc2)nn1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
MAOA P21397 1/20 0.68
DRD2 P14416 3/20 0.57
DRD4 P21917 3/20 0.57
DRD3 P35462 3/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
CD74 P04233 1/20 0.53
MIF P14174 1/20 0.53
POLB P06746 2/20 0.50
KDM1A O60341 1/20 0.50
P2RX7 Q99572 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL17502323 0.85 KDM4E (0.74) NOTUML3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL3614213 0.81 NOTUM (0.68) NOTUML3MBTL1MAOADRD2DRD4
SCHEMBL3777938 0.81 NOTUM (0.68) NOTUML3MBTL1MAOADRD2DRD4
SCHEMBL2821461 0.81 NOTUM (1.00) NOTUML3MBTL1MAOAKDM4EMAPT
SCHEMBL16401577 0.81 NOTUM (1.00) NOTUML3MBTL1MAOADRD2DRD4
SCHEMBL28064712 0.81 NOTUM (0.68) NOTUML3MBTL1MAOADRD2DRD4
Bromide SCHEMBL1882333 0.79 NOTUM (0.66) NOTUML3MBTL1MAOADRD2DRD4
SCHEMBL12601113 0.78 NOTUM (0.64) NOTUML3MBTL1MAOADRD2DRD4
SCHEMBL16271168 0.78 NOTUM (0.64) NOTUML3MBTL1MAOADRD2DRD4
SCHEMBL27711741 0.78 NOTUM (0.64) NOTUML3MBTL1MAOADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085347-A1 IL4I1 INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-04-24 WO disclosed
US-11885818-B2 Reagent for mass spectrometry ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2024-01-30 US disclosed
US-20210140983-A1 REAGENT FOR MASS SPECTROMETRY ROCHE DIAGNOSTICS OPERATIONS, INC. 2021-05-13 US disclosed
US-20210140983-A1 REAGENT FOR MASS SPECTROMETRY ROCHE DIAGNOSTICS OPERATIONS, INC. 2021-05-13 US disclosed
CN-112492881-A Reagent for mass spectrometry 豪夫迈·罗氏有限公司 2021-03-12 CN disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed
WO-2009139709-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
WO-2009139709-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) ASTRAZENECA AB (SE) 2009-11-19 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 (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-20210140983-A1 REAGENT FOR MASS SPECTROMETRY SRMS, PTMS, MMAB NOTUM 212/4885L3MBTL1 2526/4885MAOA 854/4885
US-11885818-B2 Reagent for mass spectrometry SRMS, PTMS, MMAB NOTUM 212/4885L3MBTL1 2526/4885MAOA 854/4885

“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.