SCHEMBL20516259

SCHEMBL20516259

O=[N+]([O-])c1c[nH]nc1OCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TXNRD1 Q16881 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
CFTR P13569 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL18418863 0.77 MAPT (0.42) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL20516243 0.77 NPC1 (0.32) ALDH1A1CYP3A4HPGDTSHRMAPT
SCHEMBL31074556 0.75 NPC1 (0.36) ALDH1A1TXNRD1TSHRTDP1MAPT
SCHEMBL9615856 0.74 ALDH1A1 (0.48) ALDH1A1TXNRD1CYP3A4HPGDALOX15
SCHEMBL25690402 0.73 MAPT (0.42) ALDH1A1TXNRD1TDP1MAPTPOLB
SCHEMBL21805105 0.73 LMNA (0.47) ALDH1A1TXNRD1HPGDTSHRMAPT
SCHEMBL25690408 0.73 TXNRD1 (0.38) ALDH1A1TXNRD1MAPTNPC1RAB9A
SCHEMBL17459027 0.73 ALDH1A1 (0.40) ALDH1A1TXNRD1CYP3A4HPGDALOX15
SCHEMBL2227139 0.72 TXNRD1 (0.34) ALDH1A1TXNRD1CYP3A4HPGDALOX15
SCHEMBL24251675 0.72 TXNRD1 (0.38) ALDH1A1TXNRD1POLBCFTRCNR2

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
EP-4665734-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS Novartis AG (CH) 2025-12-24 EP disclosed
US-20240360137-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS NOVARTIS AG (CH) 2024-10-31 US disclosed
WO-2024171094-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS NOVARTIS AG (CH) 2024-08-22 WO disclosed
CN-110799190-B Heterocyclic compounds 卡都瑞恩医药有限公司 2024-04-19 CN disclosed
US-11197858-B2 Substituted amines for treating cardiac diseases CARDURION PHARMACEUTICALS, LLC (US) 2021-12-14 US disclosed
US-20200230137-A1 SUBSTITUTED AMINES FOR TREATING CARDIAC DISEASES CARDURION PHARMACEUTICALS, LLC (US) 2020-07-23 US disclosed
CN-110799190-A Heterocyclic compounds 卡都瑞恩医药有限责任公司 2020-02-14 CN disclosed
US-10543212-B2 Substituted amines for treating cardiac diseases CARDURION PHARMACEUTICALS, LLC (US) 2020-01-28 US disclosed
US-20180280389-A1 HETEROCYCLIC COMPOUND CARDURION PHARMACEUTICALS, LLC (US) 2018-10-04 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 (5 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-11197858-B2 Substituted amines for treating cardiac diseases TNNI3, CALM1, CAMK2G ALDH1A1 809/4885TXNRD1 4246/4885CYP3A4 3594/4885
US-20180280389-A1 HETEROCYCLIC COMPOUND CALM1, CAMK2B, CAMK2G ALDH1A1 1208/4885TXNRD1 2228/4885CYP3A4 2553/4885
US-20240360137-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS CDK2, CDK1, CCNK ALDH1A1 4208/4885TXNRD1 2297/4885CYP3A4 3731/4885
US-10543212-B2 Substituted amines for treating cardiac diseases TNNI3, CALM1, CAMK2G ALDH1A1 809/4885TXNRD1 4246/4885CYP3A4 3594/4885
US-20200230137-A1 SUBSTITUTED AMINES FOR TREATING CARDIAC DISEASES TNNI3, CALM1, CAMK2G ALDH1A1 809/4885TXNRD1 4246/4885CYP3A4 3594/4885

“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.