SCHEMBL2207485

SCHEMBL2207485

CC1(C)NCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(OCc1ccccc1)c2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
SCD O00767 1/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39
PDE5A O76074 2/20 0.38
RCE1 Q9Y256 1/20 0.38
PRKAA2 P54646 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL2207944 0.85 LMNA (0.43) L3MBTL1LMNAMAPTSMN1; SMN2GAA
SCHEMBL2205964 0.85 LMNA (0.43) L3MBTL1LMNAMAPTSMN1; SMN2GAA
SCHEMBL2205881 0.84 LMNA (0.42) L3MBTL1LMNAMAPTSMN1; SMN2GAA
SCHEMBL14566966 0.84 LMNA (0.48) L3MBTL1LMNAMAPTSMN1; SMN2GAA
Lithium Ion SCHEMBL2205956 0.83 LMNA (0.44) L3MBTL1LMNAMAPTSMN1; SMN2GAA
SCHEMBL2206677 0.83 LMNA (0.42) L3MBTL1LMNAMAPTSMN1; SMN2GAA
SCHEMBL2207357 0.83 LMNA (0.42) L3MBTL1LMNAMAPTSMN1; SMN2GAA
SCHEMBL2207904 0.83 KCNH2 (0.51) L3MBTL1MAPTSMN1; SMN2GAANPSR1
SCHEMBL2206479 0.82 L3MBTL1 (0.41) L3MBTL1LMNAMAPTSMN1; SMN2GAA
SCHEMBL4396976 0.80 SMN1; SMN2 (0.48) L3MBTL1LMNAMAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 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 (2 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-20110257162-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 L3MBTL1 962/4885LMNA 1415/4885MAPT 2670/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 L3MBTL1 1578/4885LMNA 1269/4885MAPT 3157/4885

“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.