SCHEMBL4464197

SCHEMBL4464197

Nc1ccc(C(=O)c2ccc(F)cc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
RXFP1 Q9HBX9 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
GABRP O00591 1/20 0.58
GABRD O14764 1/20 0.58
GABRA1 P14867 1/20 0.58
GABRB1 P18505 1/20 0.58
GABRG2 P18507 1/20 0.58
GABRB3 P28472 1/20 0.58
GABRA5 P31644 1/20 0.58
GABRA3 P34903 1/20 0.58
GABRA2 P47869 1/20 0.58
GABRB2 P47870 1/20 0.58
GABRA4 P48169 1/20 0.58
GABRE P78334 1/20 0.58
GABRA6 Q16445 1/20 0.58
GABRG1 Q8N1C3 1/20 0.58
GABRG3 Q99928 1/20 0.58
GABRQ Q9UN88 1/20 0.58
NNMT P40261 1/20 0.58

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
SCHEMBL16853374 0.88 GABRP (0.72) NPC1RXFP1SMN1; SMN2GABRPGABRD
SCHEMBL6796841 0.85 GABRP (0.62) NPC1RXFP1SMN1; SMN2GABRPGABRD
SCHEMBL7474312 0.83 GABRP (0.66) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL13177973 0.81 SMN1; SMN2 (0.58) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL5046191 0.81 NPC1 (0.66) NPC1RXFP1SMN1; SMN2LTA4HVNN1
SCHEMBL10627287 0.78 NPC1 (0.62) NPC1RXFP1SMN1; SMN2LTA4HHDAC1
SCHEMBL4467915 0.78 NPC1 (0.62) NPC1RXFP1SMN1; SMN2LTA4HVNN1
SCHEMBL29611110 0.78 NPC1 (0.62) NPC1RXFP1SMN1; SMN2LTA4HHDAC1
SCHEMBL29457431 0.78 NPC1 (0.62) NPC1RXFP1SMN1; SMN2LTA4HVNN1
SCHEMBL238259 0.77 LTA4H (0.73) NPC1RXFP1SMN1; SMN2LTA4HCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
EP-1534276-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2008-11-05 EP disclosed
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-27 US disclosed
EP-1534276-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-06-01 EP disclosed
WO-2004021969-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-03-18 WO disclosed
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
CN-1292697-A Anti-viral compound LILLY CO ELI (US) 2001-04-25 CN disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 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-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E NPC1 510/4885RXFP1 2403/4885SMN1; SMN2 2895/4885

“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.