SCHEMBL7947413

SCHEMBL7947413

COc1cccc(CCNC(=O)c2[nH]c(=O)c3ccccc3c2Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
RAB9A P51151 3/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
THRB P10828 1/20 0.48
MMP13 P45452 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
TOP2A P11388 1/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL7952048 0.80 RAB9A (0.61) CNR1RAB9ACA1CA2CA7
SCHEMBL4934626 0.78 MMP13 (0.71) MMP13
SCHEMBL7947429 0.76 KMT2A (0.51) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL27380778 0.75 RAB9A (0.60) CNR1RAB9ACA1CA2CA7
SCHEMBL5681767 0.75 RAB9A (0.73) RAB9ACA1CA2CA7CA9
SCHEMBL6713509 0.74 RAB9A (0.72) RAB9ACA1CA2CA7CA9
SCHEMBL29818122 0.73 LMNA (0.77) RAB9ACA1CA2CA7CA9
SCHEMBL17143946 0.73 ALDH1A1 (0.74) CNR1RAB9ACA1CA2CA7
SCHEMBL5263429 0.72 MMP13 (0.66) MMP13
SCHEMBL9686935 0.72 CNR1 (0.47) CNR1RAB9ACA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
WO-2010039534-A2 VIRAL AND FUNGAL INHIBITORS GEORGETOWN UNIVERSITY (US) 2010-04-08 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-20110301208-A1 VIRAL AND FUNGAL INHIBITORS HAVCR2, ZC3HAV1, ERG28 CNR1 4024/4885RAB9A 2396/4885CA1 1320/4885

“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.