SCHEMBL2205964

SCHEMBL2205964

CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(OCc3ccccc3)c(=O)n2CCN1CC(=O)O.[LiH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SCD O00767 1/20 0.38
TP53 P04637 1/20 0.37
RCE1 Q9Y256 1/20 0.36
PRKAA2 P54646 1/20 0.36
SENP5 Q96HI0 1/20 0.36
SENP2 Q9HC62 1/20 0.36
SENP1 Q9P0U3 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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 0.99 LMNA (0.43) LMNAMAPTL3MBTL1SMN1; SMN2ITGA4
Lithium Ion SCHEMBL2205956 0.92 LMNA (0.44) LMNAMAPTL3MBTL1SMN1; SMN2ITGA4
SCHEMBL2207357 0.89 LMNA (0.42) LMNAMAPTL3MBTL1SMN1; SMN2ITGA4
SCHEMBL2206677 0.89 LMNA (0.42) LMNAMAPTL3MBTL1SMN1; SMN2ITGA4
SCHEMBL2205881 0.85 LMNA (0.42) LMNAMAPTL3MBTL1SMN1; SMN2ITGA4
SCHEMBL2207485 0.85 L3MBTL1 (0.45) LMNAMAPTL3MBTL1SMN1; SMN2ITGA4
SCHEMBL2206750 0.84 KCNH2 (0.49) MAPTL3MBTL1SMN1; SMN2GAANPSR1
SCHEMBL2206479 0.83 L3MBTL1 (0.41) LMNAMAPTL3MBTL1SMN1; SMN2ITGA4
SCHEMBL4396976 0.80 SMN1; SMN2 (0.48) LMNAMAPTL3MBTL1SMN1; SMN2GAA
SCHEMBL2204745 0.79 KCNH2 (0.47) LMNAL3MBTL1SMN1; SMN2GAANPSR1

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 2 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

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-20110257162-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 LMNA 1415/4885MAPT 2670/4885L3MBTL1 962/4885

“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.