SCHEMBL5779364

SCHEMBL5779364

O=[N+]([O-])c1ccc(Cl)c(C(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
VCAM1 P19320 1/20 0.50
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 4/20 0.44
HIF1A Q16665 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 3/20 0.42
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PDE7A Q13946 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL10748243 0.86 HSD17B10 (0.56) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL600868 0.85 HSD17B10 (0.60) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL17125223 0.81 HSD17B10 (0.60) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL1030342 0.81 ALDH1A1 (0.60) HSD17B10KMT2AALDH1A1TDP1LMNA
SCHEMBL29744802 0.81 ALDH1A1 (0.60) HSD17B10KMT2AALDH1A1TDP1LMNA
SCHEMBL16954413 0.79 HSD17B10 (0.56) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL19862412 0.79 HSD17B10 (0.56) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL18048843 0.78 HSD17B10 (0.51) HSD17B10VCAM1KMT2AALDH1A1LMNA
SCHEMBL16957943 0.78 HSD17B10 (0.51) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL18048536 0.78 PTPRC (0.44) HSD17B10ALDH1A1TDP1LMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404231-B2 Method for preparing trifluoromethyl aromatic compound JINGDEZHEN FUSHINE LIFE TECHNOLOGY CO., LTD. (CN) 2025-09-02 US disclosed
US-20250257028-A1 Method for Preparing Trifluoromethyl Aromatic Compound JINGDEZHEN FUSHINE LIFE TECHNOLOGY CO., LTD. (CN) 2025-08-14 US disclosed
CN-117964490-B Preparation method of trifluoromethyl aromatic compound 景德镇富祥生命科技有限公司 2024-12-20 CN disclosed
CN-117964490-A Preparation method of trifluoromethyl aromatic compound 景德镇富祥生命科技有限公司 2024-05-03 CN disclosed
US-10233173-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators JANSSEN PHARMACEUTICA NV (BE) 2019-03-19 US disclosed
CN-1312151-C (imidazol-1-yl-methyl)-pyridazine as NMDA receptor blocker HOFFMANN LA ROCHE (CH) 2007-04-25 CN disclosed
EP-1506190-B1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER HOFFMANN LA ROCHE (CH) 2006-06-14 EP disclosed
US-7005432-B2 Substituted imidazol-pyridazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-02-28 US disclosed
CN-1653062-A (imidazol-1-yl-methyl)-pyridazine as NMDA receptor blocker HOFFMANN LA ROCHE (CH) 2005-08-10 CN disclosed
EP-1506190-A1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER F. HOFFMANN-LA ROCHE AG (CH) 2005-02-16 EP disclosed
US-20030229096-A1 Substituted imidazol-pyridazine derivatives EVOTEC INTERNATIONAL GMBH (DE) 2003-12-11 US disclosed
WO-2003097637-A1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 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-20250257028-A1 Method for Preparing Trifluoromethyl Aromatic Compound PAH, KCNH3, RCC1 HSD17B10 3239/4885VCAM1 4277/4885KMT2A 409/4885
US-12404231-B2 Method for preparing trifluoromethyl aromatic compound PAH, KCNH3, RCC1 HSD17B10 3239/4885VCAM1 4277/4885KMT2A 409/4885
US-10233173-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators GRIN3A, GRIN3B, GRIN1 HSD17B10 3548/4885VCAM1 2729/4885KMT2A 966/4885
US-20030229096-A1 Substituted imidazol-pyridazine derivatives GRIN2B, GRIN2A, GRIN2C HSD17B10 1076/4885VCAM1 3075/4885KMT2A 1330/4885

“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.