SCHEMBL13990318

SCHEMBL13990318

CC(C)(C)c1cc(Cl)ncc1Cl

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CCR9 P51686 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL22950564 0.84 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL11064213 0.83 CBLB (0.32)
SCHEMBL21719274 0.82 UHRF1 (0.37) SMN1; SMN2TP53CYP2C9CYP2C19HIF1A
SCHEMBL11955044 0.82 SMN1; SMN2 (0.32) SMN1; SMN2TP53CYP2C9CYP2C19HIF1A
SCHEMBL26322961 0.80 ALDH1A1 (0.33) SMN1; SMN2TP53CYP2C9CYP2C19HIF1A
SCHEMBL11955175 0.80 ALDH1A1 (0.36) SMN1; SMN2TP53CYP2C9CYP2C19HIF1A
SCHEMBL23022443 0.78 NOS3 (0.40) KDM4E
SCHEMBL11955162 0.78 MKNK1 (0.38) SMN1; SMN2TP53CYP2C9CYP2C19HIF1A
SCHEMBL11955163 0.78 AAK1 (0.33) SMN1; SMN2ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL1515470 0.77 PIK3R1 (0.41) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4311849-B1 METAL COMPLEXES UDC IRELAND LTD (IE) 2025-01-29 EP disclosed
US-20240107872-A1 Metal complexes UDC IRELAND LIMITED (IE) 2024-03-28 US disclosed
US-20240059721-A1 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-22 US disclosed
EP-4311849-A1 METAL COMPLEXES UDC Ireland Limited (IE) 2024-01-31 EP disclosed
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-03-09 US disclosed
WO-2021156787-A1 HETEROCYCLIC COMPOUNDS AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-08-12 WO disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 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 (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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 SMN1; SMN2 1844/4885TP53 4639/4885CYP2C9 400/4885
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF TH, CYP4X1, CYP4B1 SMN1; SMN2 4553/4885TP53 3743/4885CYP2C9 19/4885
US-20240059721-A1 Metal complexes MCU, IMMT, SOD1 SMN1; SMN2 4385/4885TP53 3817/4885CYP2C9 2980/4885
US-20240107872-A1 Metal complexes MCU, IMMT, SOD1 SMN1; SMN2 4385/4885TP53 3817/4885CYP2C9 2980/4885

“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.