SCHEMBL7948709

SCHEMBL7948709

O=C(Nc1nccs1)c1[nH]c(=O)c2ccccc2c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.52
NPC1 O15118 8/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 2/20 0.51
METAP2 P50579 1/20 0.51
METAP1 P53582 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL7946681 0.76 RAB9A (0.56) RAB9ANPC1SMN1; SMN2LMNAMETAP2
SCHEMBL11283739 0.70 RAB9A (0.50) RAB9ANPC1SMN1; SMN2LMNAMETAP2
SCHEMBL995829 0.70 NPC1 (1.00) RAB9ANPC1SMN1; SMN2LMNAMETAP2
SCHEMBL7947429 0.69 KMT2A (0.51) SMN1; SMN2LMNAMEN1KMT2ACYP1A2
SCHEMBL1897970 0.68 NPC1 (1.00) RAB9ANPC1SMN1; SMN2LMNAMETAP2
Hydrochloric Acid SCHEMBL27594584 0.68 NPC1 (0.97) RAB9ANPC1SMN1; SMN2LMNAMETAP2
SCHEMBL1606455 0.68 NPC1 (0.79) RAB9ANPC1SMN1; SMN2LMNAMETAP2
SCHEMBL12258300 0.68 FLT3 (0.60) RAB9ANPC1SMN1; SMN2LMNAMETAP2
SCHEMBL10686239 0.68 RAB9A (0.70) RAB9ANPC1SMN1; SMN2CYP1A2MAPT
SCHEMBL2657025 0.68 CYP1A2 (0.62) RAB9ANPC1SMN1; SMN2LMNAMETAP2

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 69/4885SMN1; SMN2 3519/4885

“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.