SCHEMBL3386200

SCHEMBL3386200

O=[N+]([O-])c1cnc(N2CCOCC2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
CYP1A2 P05177 3/20 0.65
CYP2C9 P11712 3/20 0.65
HPGD P15428 1/20 0.65
POLB P06746 2/20 0.54
MAPT P10636 6/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
KCNJ1 P48048 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
BLM P54132 1/20 0.45
SRC P12931 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44

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
SCHEMBL30136676 0.84 MAPT (0.57) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL4966461 0.84 MAPT (0.62) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL26633298 0.82 MAPT (0.63) ALDH1A1CYP1A2CYP2C9HPGDPOLB
SCHEMBL3567484 0.79 SIRT6 (0.56) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL341002 0.79 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C9HPGDPOLB
SCHEMBL3440200 0.78 POLB (0.53) ALDH1A1CYP1A2CYP2C9HPGDPOLB
SCHEMBL4675601 0.76 ALDH1A1 (0.74) ALDH1A1CYP1A2CYP2C9HPGDPOLB
SCHEMBL10413396 0.76 POLB (0.62) ALDH1A1POLBKMT2AHTTKDM4E
SCHEMBL19283722 0.76 KMT2A (0.43) ALDH1A1CYP1A2CYP2C9HPGDPOLB
SCHEMBL1126466 0.76 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9HPGDMAPT

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334298-B1 UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER SCORPION THERAPEUTICS INC (US) 2026-02-18 EP disclosed
EP-4663630-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR LG Chem, Ltd. (KR) 2025-12-17 EP disclosed
US-20250250259-A1 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. 2025-08-07 US disclosed
US-12312341-B2 Methods for treating cancer SCORPION THERAPEUTICS, INC. (US) 2025-05-27 US disclosed
US-20240400543-A1 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. 2024-12-05 US disclosed
WO-2024201308-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR 주식회사 엘지화학 2024-10-03 WO disclosed
US-20240300939-A1 UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER SCORPION THERAPEUTICS, INC. 2024-09-12 US disclosed
US-12084434-B2 Methods for treating cancer SCORPION THERAPEUTICS, INC. (US) 2024-09-10 US disclosed
US-20240158376-A1 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. 2024-05-16 US disclosed
CN-117813293-A Urea derivatives useful for the treatment of cancer 蝎子疗法股份有限公司 2024-04-02 CN disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US disclosed
WO-2014111037-A1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海昀怡健康管理咨询有限公司 (CN) 2014-07-24 WO disclosed
EP-2696683-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS Alzheimer's Institute of America, Inc. (US) 2014-02-19 EP disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 WO disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 WO disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 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 (8 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-20240300939-A1 UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER PIK3CA, PIK3CG, PIK3CD ALDH1A1 1105/4885CYP1A2 1666/4885CYP2C9 2189/4885
US-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 ALDH1A1 2440/4885CYP1A2 629/4885CYP2C9 470/4885
US-20240158376-A1 METHODS FOR TREATING CANCER PIK3CA, PTEN, BRCA1 ALDH1A1 1084/4885CYP1A2 3038/4885CYP2C9 4047/4885
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 ALDH1A1 4487/4885CYP1A2 4860/4885CYP2C9 4879/4885
US-12312341-B2 Methods for treating cancer PIK3CA, PTEN, BRCA1 ALDH1A1 1084/4885CYP1A2 3038/4885CYP2C9 4047/4885
US-20250250259-A1 METHODS FOR TREATING CANCER PIK3CA, PTEN, BRCA1 ALDH1A1 1084/4885CYP1A2 3038/4885CYP2C9 4047/4885
US-20240400543-A1 METHODS FOR TREATING CANCER PIK3CA, PTEN, BRCA1 ALDH1A1 1084/4885CYP1A2 3038/4885CYP2C9 4047/4885
US-12084434-B2 Methods for treating cancer PIK3CA, PTEN, BRCA1 ALDH1A1 1084/4885CYP1A2 3038/4885CYP2C9 4047/4885

“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.