SCHEMBL16073045

SCHEMBL16073045

O=C(Nc1nccs1)c1c(F)cc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.55
GAA P10253 3/20 0.55
SI P14410 3/20 0.55
MGAM2 Q2M2H8 3/20 0.55
NPC1 O15118 10/20 0.53
RAB9A P51151 10/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
METAP2 P50579 1/20 0.51
METAP1 P53582 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.50
ESR2 Q92731 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PPARG P37231 1/20 0.50
NCOR2 Q9Y618 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
SCHEMBL16073053 0.88 NPC1 (0.58) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL10201673 0.84 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL10201677 0.84 NPC1 (0.60) MGAMGAASIMGAM2NPC1
SCHEMBL8797043 0.83 RAB9A (0.62) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL3196687 0.76 NPC1 (0.62) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5733209 0.75 NPC1 (0.61) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL16073076 0.75 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL27760115 0.75 NPC1 (0.68) MGAMGAASIMGAM2NPC1
SCHEMBL419202 0.74 CYP1A2 (0.71) MGAMGAASIMGAM2NPC1
SCHEMBL16073042 0.73 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604946-B2 Methods for modulating bacterial virulence and related compounds THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-03-28 US disclosed
US-9604946-B2 Methods for modulating bacterial virulence and related compounds THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-03-28 US disclosed
US-20140275189-A1 Methods for Modulating Bacterial Virulence and Related Compounds THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-18 US disclosed
US-20140275189-A1 Methods for Modulating Bacterial Virulence and Related Compounds THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-18 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-20140275189-A1 Methods for Modulating Bacterial Virulence and Related Compounds STAT1, MLEC, CGAS MGAM 416/4885GAA 3218/4885SI 2053/4885

“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.