SCHEMBL842772

SCHEMBL842772

COC(=O)c1cncn1C1CCN(C(=O)c2ccccc2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.40
GPBAR1 Q8TDU6 2/20 0.39
AVPR2 P30518 3/20 0.39
AVPR1A P37288 3/20 0.39
STAT3 P40763 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
P2RY1 P47900 1/20 0.38
CACNA1G O43497 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR2 P34972 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
SCHEMBL842484 0.88 NOTUM (0.40) ALDH1A1MAPK1GPBAR1STAT3SMN1; SMN2
SCHEMBL842521 0.81 CYP11B2 (0.43) MAPK1SMN1; SMN2P2RY1CACNA1G
SCHEMBL842507 0.80 CACNA1H (0.41) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL9493247 0.77 CYP11B2 (0.43) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL2817700 0.77 CYP11B2 (0.43) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL9493435 0.77 CYP11B2 (0.43) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL10494022 0.76 KMT2A (0.48) MAPK1MEN1KMT2A
SCHEMBL843562 0.75 KMT2A (0.43) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL2818685 0.74 KDM4C (0.44) ALDH1A1HPGDMAPK1
SCHEMBL9673472 0.74 MAPK1 (0.40) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 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-20100093711-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP11B2 ALDH1A1 142/4885HPGD 202/4885MAPK1 1399/4885

“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.