SCHEMBL13360509

SCHEMBL13360509

O=C(NI)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CYP1A2 P05177 2/20 0.58
LMNA P02545 2/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.58
USP30 Q70CQ3 1/20 0.57
STAT3 P40763 1/20 0.56
HPGDS O60760 1/20 0.56
KCNQ3 O43525 1/20 0.55
KCNQ2 O43526 1/20 0.55
PRMT5 O14744 2/20 0.52
HDAC10 Q969S8 1/20 0.52
RAB9A P51151 3/20 0.51

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
SCHEMBL19090919 0.89 ALDH1A1 (0.63) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL7679197 0.86 ALDH1A1 (0.66) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL4930304 0.86 ALDH1A1 (0.66) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL2570318 0.86 ALDH1A1 (0.66) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL19160257 0.84 ALDH1A1 (0.71) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL12376678 0.82 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL13116111 0.82 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL13101600 0.82 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL63778 0.82 ALDH1A1 (0.73) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL8769978 0.81 MAPT (0.70) ALDH1A1KDM4EPOLBHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 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 (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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 ALDH1A1 802/4885KDM4E 3683/4885POLB 3823/4885

“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.