SCHEMBL7952048

SCHEMBL7952048

COc1cccc(CCNC(=O)c2cc3ccccc3c(=O)[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.61
NPC1 O15118 3/20 0.61
KDM4E B2RXH2 2/20 0.61
MAPT P10636 2/20 0.61
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
POLB P06746 1/20 0.53
MMP13 P45452 3/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CNR1 P21554 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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
SCHEMBL4930433 0.90 MMP13 (0.62) KDM4EMAPTMMP13LMNATP53
SCHEMBL4934626 0.81 MMP13 (0.71) MMP13
SCHEMBL7947413 0.80 CNR1 (0.54) RAB9ANPC1KDM4EMAPTMTNR1A
SCHEMBL7940514 0.76 CA12 (0.61) KDM4EMAPTMEN1KMT2ACA1
SCHEMBL5681767 0.75 RAB9A (0.73) RAB9ANPC1KDM4EMTNR1AMTNR1B
SCHEMBL5263429 0.75 MMP13 (0.66) MMP13
SCHEMBL9492315 0.74 KDM4E (0.73) RAB9ANPC1KDM4EMAPTMTNR1A
SCHEMBL6600286 0.74 LOXL2 (0.50) MAPTPOLBMMP13MEN1KMT2A
SCHEMBL7940516 0.74 DRD2 (0.63) KDM4EMAPT
SCHEMBL17143946 0.73 ALDH1A1 (0.74) RAB9AMTNR1AMTNR1BPOLBCNR1

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 RAB9A 2396/4885NPC1 69/4885KDM4E 2812/4885

“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.