SCHEMBL675941

SCHEMBL675941

O=C1OC(c2cccc3cnccc23)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
HTT P42858 3/20 0.39
TNF P01375 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
HPGD P15428 2/20 0.38
TDP2 O95551 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP3 P42574 1/20 0.38
GALK1 P51570 1/20 0.38

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
SCHEMBL9764610 0.83 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAHTTMAPT
SCHEMBL675930 0.74 KDM4E (0.46) ALDH1A1KDM4ELMNACYP2C19HTT
SCHEMBL17737240 0.73 ALDH1A1 (0.73) ALDH1A1KDM4EMAPTCA1CA2
Isoquinoline SCHEMBL6261964 0.72 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAHTTTNF
SCHEMBL6240424 0.70 LMNA (0.63) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL15900528 0.70 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAHTTMAPT
SCHEMBL31616887 0.70 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAHTTMAPT
SCHEMBL20194327 0.70 ALDH1A1 (0.53) ALDH1A1KDM4ELMNACYP1A2CYP3A4
SCHEMBL230857 0.70 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAHTTMAPT
Isoquinoline SCHEMBL10651325 0.69 KMT2A (0.35) ALDH1A1KDM4EHTTTNFMAPT

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
US-20110274651-A1 Noscapine and Noscapine Analogs and Their Use in treating Infectious Diseases by Tubulin Binding Inhibition EMORY UNIVERSITY (US) 2011-11-10 US disclosed
EP-2328578-A2 NOSCAPINE AND NOSCAPINE ANALOGS AND THEIR USE IN TREATING INFECTIOUS DISEASES BY TUBULIN BINDING INHIBITION Emory University (US) 2011-06-08 EP disclosed
WO-2010030582-A2 NOSCAPINE AND NOSCAPINE ANALOGS AND THEIR USE IN TREATING INFECTIOUS DISEASES BY TUBULIN BINDING INHIBITION EMORY UNIVERSITY (US) 2010-03-18 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-20110274651-A1 Noscapine and Noscapine Analogs and Their Use in treating Infectious Diseases by Tubulin Binding Inhibition NOS1, NOS2, TBCA ALDH1A1 4538/4885KDM4E 4136/4885LMNA 2534/4885

“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.