SCHEMBL6418760

SCHEMBL6418760

COC(=O)c1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.72
RAB9A P51151 5/20 0.71
NPC1 O15118 4/20 0.71
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
MAPT P10636 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
NR4A2 P43354 1/20 0.69
PARP10 Q53GL7 1/20 0.68
PTPN7 P35236 1/20 0.60
LMNA P02545 3/20 0.59
MAPK1 P28482 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
POLB P06746 1/20 0.56
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
FFAR1 O14842 1/20 0.56

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
SCHEMBL11350421 0.92 RAB9A (0.82) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL10236929 0.92 RAB9A (0.82) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL12086470 0.87 RAB9A (0.80) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL3729907 0.87 NPC1 (0.75) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL14966315 0.86 MAPT (0.68) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL27522112 0.86 NR4A2 (0.71) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL898771 0.86 RXRA (0.77) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL6959174 0.86 NPC1 (0.73) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL11363883 0.86 RAB9A (0.73) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL11603134 0.85 MAOB (0.68) MAOBRAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed
US-4910206-A Endotoxin induced lung injury SANDOZ PHARMACEUTICALS CORP. (US) 1990-03-20 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 MAOB 721/4885RAB9A 3489/4885NPC1 200/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MAOB 1871/4885RAB9A 3358/4885NPC1 115/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MAOB 1871/4885RAB9A 3358/4885NPC1 115/4885

“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.