SCHEMBL1044002

SCHEMBL1044002

Cn1ncc(C=O)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.41
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
ERN1 O75460 2/20 0.33
POLB P06746 1/20 0.33
MPO P05164 1/20 0.31
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
GFER P55789 2/20 0.30
HIF1A Q16665 1/20 0.30
HKDC1 Q2TB90 1/20 0.30

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
SCHEMBL20282901 0.82 SMN1; SMN2 (0.33) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1710854 0.78 TRPA1 (0.34)
SCHEMBL22284752 0.76 RAB9A (0.43) CYP11B2KDM4ESMN1; SMN2CYP1A2CYP2C9
SCHEMBL22298845 0.75 FBP1 (0.41) CYP11B2SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22284700 0.74 CYP11B2 (0.36) CYP11B2KDM4ESMN1; SMN2CYP1A2CYP2C9
SCHEMBL378249 0.74
SCHEMBL4831559 0.72 PDE2A (0.42) KDM4ECYP1A2ALDH1A1HPGDLMNA
SCHEMBL25528085 0.72 ALDH1A1 (0.33) ALDH1A1MPOLMNADRD2DRD4
SCHEMBL24483790 0.71 CYP11B2 (0.45) CYP11B2KDM4ESMN1; SMN2CYP1A2CYP2C9
SCHEMBL12121231 0.71 CYP11B2 (0.45) CYP11B2KDM4ESMN1; SMN2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN claimed
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN claimed
EP-2275412-A1 Indole and benzimidazole derivatives Novartis Vaccines and Diagnostics, Inc. (US) 2011-01-19 EP claimed
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 US claimed
US-20080317744-A1 Indole and Benzimidazole Derivatives CHIRON CORPORATION (US) 2008-12-25 US claimed
EP-1807399-A2 INDOLE AND BENZIMIDAZOLE DERIVATIVES Novartis Vaccines and Diagnostics, Inc. (US) 2007-07-18 EP claimed
WO-2006049835-A2 INDOLE AND BENZIMIDAZOLE DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-05-11 WO claimed
US-20060084687-A1 Indole and benzimidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2006-04-20 US claimed
US-20260125378-A2 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2026-05-07 US disclosed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
EP-4658650-A1 HETEROCYCLIC COMPOUNDS Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
US-20250353846-A1 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2025-11-20 US disclosed
CN-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 CN disclosed
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN disclosed
EP-2091944-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS Pfizer, Inc. (US) 2009-08-26 EP disclosed
US-20080317744-A1 Indole and Benzimidazole Derivatives CHIRON CORPORATION (US) 2008-12-25 US disclosed
WO-2008059370-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-22 WO disclosed
EP-1807399-A2 INDOLE AND BENZIMIDAZOLE DERIVATIVES Novartis Vaccines and Diagnostics, Inc. (US) 2007-07-18 EP disclosed
WO-2006049835-A2 INDOLE AND BENZIMIDAZOLE DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-05-11 WO disclosed
US-20060084687-A1 Indole and benzimidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2006-04-20 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-20260125378-A2 Heterocyclic Compounds NFATC1, CD4, MALT1 CYP11B2 46/4885KDM4E 1832/4885SMN1; SMN2 1858/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH CYP11B2 634/4885KDM4E 3565/4885SMN1; SMN2 3345/4885
US-20250353846-A1 Heterocyclic Compounds NFATC1, CD4, ACIN1 CYP11B2 813/4885KDM4E 2752/4885SMN1; SMN2 3398/4885
US-20060084687-A1 Indole and benzimidazole derivatives IDO1, IDO2, AADAC CYP11B2 41/4885KDM4E 1266/4885SMN1; SMN2 4439/4885
US-20080317744-A1 Indole and Benzimidazole Derivatives IDO1, IDO2, AADAC CYP11B2 41/4885KDM4E 1266/4885SMN1; SMN2 4439/4885

“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.