SCHEMBL447058

SCHEMBL447058

O=C(Cl)c1ccc(F)nc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
NAPRT Q6XQN6 1/20 0.31
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL30934037 1.00 ALDH1A1 (0.43) ALDH1A1ALOX15NAPRTCES2CES1
SCHEMBL27886904 0.81 GPR27 (0.43) ALDH1A1ALOX15NAPRTKEAP1NFE2L2
SCHEMBL445478 0.80 NAPRT (0.50) ALDH1A1ALOX15NAPRTKEAP1NFE2L2
SCHEMBL29551348 0.80 NAPRT (0.50) ALDH1A1ALOX15NAPRTKEAP1NFE2L2
Hydrochloric Acid SCHEMBL2211447 0.78 NAPRT (0.48) ALDH1A1ALOX15NAPRTKEAP1NFE2L2
SCHEMBL2762235 0.78 DGAT1 (0.42) ALDH1A1NPC1RAB9A
SCHEMBL30641935 0.78 DGAT1 (0.42) ALDH1A1NPC1RAB9A
SCHEMBL3160278 0.78 SMN1; SMN2 (0.40) ALDH1A1ALOX15NAPRTCES2CES1
SCHEMBL30506330 0.78 SMN1; SMN2 (0.40) ALDH1A1ALOX15NAPRTCES2CES1
SCHEMBL3959784 0.78 ALDH1A1 (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658074-A1 FUNGICIDAL COMPOSITIONS Syngenta Crop Protection AG (CH) 2025-12-10 EP disclosed
EP-4655284-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES Syngenta Crop Protection AG (CH) 2025-12-03 EP disclosed
EP-4626232-A1 FUNGICIDAL COMPOSITIONS Syngenta Crop Protection AG (CH) 2025-10-08 EP disclosed
EP-4619396-A1 MICROBIOCIDAL TETRAHYDROISOQUINOLINE DERIVATIVES Syngenta Crop Protection AG (CH) 2025-09-24 EP disclosed
WO-2024160801-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2024-08-08 WO disclosed
WO-2024156886-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-08-02 WO disclosed
WO-2024115546-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2024-06-06 WO disclosed
WO-2024115546-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2024-06-06 WO disclosed
WO-2024105104-A1 MICROBIOCIDAL TETRAHYDROISOQUINOLINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-05-23 WO disclosed
CN-116987076-A 1,2, 4-triazolo [4,3-a ] pyridine sulfone derivative, and preparation method and application thereof 贵州大学 2023-11-03 CN disclosed
EP-1699767-A2 PROCESS FOR THE PREPARATION OF PYRIDOPYRIMIDONES Scios, Inc. (US) 2006-09-13 EP disclosed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 US disclosed
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
CN-1671700-A Substituted alkylamine derivatives and methods of use AMGEN INC (US) 2005-09-21 CN disclosed
US-20050176957-A1 Process for the preparation of pyridopyrimidones SCIOS INC. 2005-08-11 US disclosed
WO-2005065416-A2 PROCESS FOR THE PREPARATION OF PYRIDOPYRIMIDONES SCIOS INC. (US) 2005-07-21 WO disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC ALDH1A1 389/4885ALOX15 347/4885NAPRT 234/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO ALDH1A1 261/4885ALOX15 229/4885NAPRT 213/4885
US-20050176957-A1 Process for the preparation of pyridopyrimidones PDXK, PNPO, AGPS ALDH1A1 1829/4885ALOX15 1911/4885NAPRT 136/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC ALDH1A1 389/4885ALOX15 347/4885NAPRT 234/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO ALDH1A1 261/4885ALOX15 229/4885NAPRT 213/4885

“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.