SCHEMBL2435292

SCHEMBL2435292

Cn1c(CN(CCN[C@H](C(=O)OC(C)(C)C)C(C)(C)C)C(=O)OCC2c3ccccc3-c3ccccc32)nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL1058528 0.94 MAPT (0.39) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL2906720 0.92 MAPT (0.39) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL2438216 0.89 MAPT (0.37) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL1058524 0.87 MAPT (0.38) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL2435295 0.86 MAPT (0.37) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL2438220 0.83 MAPT (0.36) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL3801396 0.82 RECQL (0.38) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL1058529 0.82 ALDH1A1 (0.39) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL2438222 0.79 MAPT (0.36) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL1058237 0.78 USP2 (0.40) MAPTALDH1A1USP2SMN1; SMN2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 MAPT 1745/4885ALDH1A1 1209/4885USP2 1989/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP MAPT 2176/4885ALDH1A1 2920/4885USP2 707/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP MAPT 2176/4885ALDH1A1 2920/4885USP2 707/4885

“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.