SCHEMBL2922033

SCHEMBL2922033

O=[N+]([O-])c1cc(N2CCNCC2)ccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
RECQL P46063 1/20 0.65
ADRB1 P08588 3/20 0.61
ALDH1A1 P00352 4/20 0.60
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
MAPK1 P28482 1/20 0.59
SIRT6 Q8N6T7 1/20 0.58
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
HTT P42858 2/20 0.56
HTR6 P50406 6/20 0.56
HTR1A P08908 2/20 0.51
HTR7 P34969 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL30267001 1.00 MAPT (0.65) MAPTRECQLADRB1ALDH1A1POLB
Hydrochloric Acid SCHEMBL4931592 0.98 MAPT (0.63) MAPTRECQLADRB1ALDH1A1POLB
SCHEMBL16580887 0.88 MAPT (0.69) MAPTRECQLADRB1ALDH1A1POLB
SCHEMBL30307826 0.86 MAPT (0.75) MAPTRECQLADRB1ALDH1A1POLB
SCHEMBL28954967 0.86 MAPT (0.75) MAPTRECQLADRB1ALDH1A1POLB
SCHEMBL4083498 0.82 MAPT (0.65) MAPTALDH1A1POLBSMN1; SMN2MAPK1
SCHEMBL7374614 0.82 MAPT (0.65) MAPTRECQLADRB1ALDH1A1POLB
SCHEMBL2921548 0.82 MAPT (0.65) MAPTRECQLADRB1ALDH1A1POLB
SCHEMBL16654714 0.82 MAPT (0.78) MAPTRECQLADRB1ALDH1A1POLB
SCHEMBL20340700 0.82 MAPT (0.65) MAPTRECQLADRB1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368194-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2024-11-07 US disclosed
EP-4393922-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-07-03 EP disclosed
WO-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
WO-2023025159-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海领泰生物医药科技有限公司 2023-03-02 WO disclosed
CN-115710274-A IRAK4 degradation agent, preparation method and application thereof 上海领泰生物医药科技有限公司 2023-02-24 CN disclosed
EP-3562824-B1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2022-01-26 EP disclosed
US-10961233-B2 Oxazole derivatives for use in the treatment of cancer LIFEARC (GB) 2021-03-30 US disclosed
US-20190352295-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2019-11-21 US disclosed
EP-3562824-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LifeArc (GB) 2019-11-06 EP disclosed
WO-2018122549-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2018-07-05 WO disclosed
US-RE41315-E1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DE) 2010-05-04 US disclosed
US-6924374-B2 Central nervous system disorders; psychological disorders A. CARLSSON RESEARCH AB (SE) 2005-08-02 US disclosed
CN-1196680-C Modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2005-04-13 CN disclosed
EP-1419773-A2 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-05-19 EP disclosed
CN-1420870-A Modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2003-05-28 CN disclosed
US-20030004169-A1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2003-01-02 US disclosed
EP-1240143-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046146-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 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 (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-20190352295-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER PAICS, CDK12, CDK13 MAPT 4715/4885RECQL 4005/4885ADRB1 1036/4885
US-20240368194-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 MAPT 1791/4885RECQL 4184/4885ADRB1 3602/4885
US-10961233-B2 Oxazole derivatives for use in the treatment of cancer PAICS, CDK13, CDK12 MAPT 4712/4885RECQL 4348/4885ADRB1 1254/4885
US-20030004169-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 MAPT 2736/4885RECQL 2604/4885ADRB1 100/4885

“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.