SCHEMBL2049752

SCHEMBL2049752

CCCc1cc(-c2sccc2C)n(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
CYP2A6 P11509 8/20 0.38
KDM1A O60341 2/20 0.36
POLB P06746 1/20 0.35
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
HPGD P15428 1/20 0.33
CYP2B6 P20813 2/20 0.33
CYP2E1 P05181 1/20 0.33
MAPT P10636 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
NISCH Q9Y2I1 1/20 0.32

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
SCHEMBL2050232 0.75 SREBF2 (0.43) KDM4EALDH1A1LMNAPOLBCYP3A4
SCHEMBL27581007 0.74 TLR7 (0.39) KDM4EALDH1A1POLBNR1H4HTT
SCHEMBL2051353 0.73 ALDH1A1 (0.39) KDM4EALDH1A1LMNACYP2A6KDM1A
SCHEMBL2051443 0.69 ALDH1A1 (0.38) KDM4EALDH1A1LMNACYP2A6CYP3A4
SCHEMBL2050088 0.69 ALDH1A1 (0.38) KDM4EALDH1A1LMNACYP2A6CYP3A4
SCHEMBL9965045 0.68 BCHE (0.49) KDM4EALDH1A1LMNAPOLBCYP3A4
SCHEMBL5417813 0.68 HDAC6 (0.52) KDM4EALDH1A1POLBCYP2C19CYP2D6
SCHEMBL22779157 0.66 NR1H4 (0.42) KDM4EALDH1A1POLBNR1H4HPGD
SCHEMBL28254674 0.65 MAPT (0.48) ALDH1A1LMNACYP3A4CYP2C19CYP2D6
SCHEMBL23401592 0.63 POLB (0.40) KDM4EALDH1A1LMNAPOLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516423-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI Bayer CropScience AG (DE) 2012-10-31 EP disclosed
US-20110237588-A1 Thienylpyri(mi)dinylazole BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
WO-2011076725-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-06-30 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 (1 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-20110237588-A1 Thienylpyri(mi)dinylazole PADI1, TH, H1-3 KDM4E 2907/4885ALDH1A1 1184/4885LMNA 3773/4885

“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.