SCHEMBL6099353

SCHEMBL6099353

CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Br)cn2)c1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.42
NPC1 O15118 6/20 0.42
MAPT P10636 2/20 0.40
POLB P06746 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL6099357 1.00 RAB9A (0.42) RAB9ANPC1MAPTPOLBSMN1; SMN2
SCHEMBL27514889 0.90 FPR1 (0.45) RAB9ANPC1MAPTPOLBSMN1; SMN2
SCHEMBL7674137 0.89 RAB9A (0.43) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL7674142 0.89 RAB9A (0.43) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL3727512 0.86 TMPRSS4 (0.39) MEN1KMT2A
SCHEMBL6112389 0.86 TMPRSS4 (0.39) MEN1KMT2A
SCHEMBL3732549 0.86 TMPRSS4 (0.39) MEN1KMT2A
SCHEMBL30042804 0.86 TMPRSS4 (0.39) MEN1KMT2A
SCHEMBL30421510 0.85 TMPRSS4 (0.39) MEN1KMT2A
SCHEMBL6102018 0.83 KDM4E (0.36) RAB9ANPC1MAPTPOLBSMN1; SMN2

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-7148243-B2 Antivirals MEDIVIR AB (SE) 2006-12-12 US disclosed
EP-1054867-B1 ANTIVIRALS MEDIVIR AB (SE) 2004-04-14 EP disclosed
US-20030119881-A1 N-((2-hydroxy,3-(alkyloxo),6-halophenyl)-(1,2-cyclopropylene) -),N'-((5-cyano or bromo)pyrid-2-yl)urea; retroviricides; HIV reverse transcriptase inhibitors; prolonged time to virus resistance MEDIVIR AB (SE) 2003-06-26 US disclosed
US-6486183-B1 Antivirals MEDIVIR AB (SE) 2002-11-26 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-20030119881-A1 N-((2-hydroxy,3-(alkyloxo),6-halophenyl)-(1,2-cyclopropylene) -),N'-((5-cyano or bromo)pyrid-2-yl)urea; retroviricides; HIV reverse transcriptase inhibitors; prolonged time to virus resistance RAD1, POLL, PNPO RAB9A 2922/4885NPC1 550/4885MAPT 3177/4885

“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.