SCHEMBL13102346

SCHEMBL13102346

Cc1ccc(NC(=O)CN(C)C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NLRP1 Q9C000 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL764662 0.82 POLB (0.68) POLBL3MBTL1LMNAGAAKMT2A
SCHEMBL8141144 0.76 POLB (1.00) POLBGAAKMT2AALDH1A1MEN1
SCHEMBL24972895 0.75 KMT2A (0.71) POLBL3MBTL1LMNAKDM4EKMT2A
SCHEMBL13607093 0.75 POLB (0.58) POLBL3MBTL1LMNAGAAKDM4E
SCHEMBL28141066 0.75 ALDH1A1 (0.59) POLBL3MBTL1LMNAGAAKDM4E
SCHEMBL8361578 0.75 PTPN1 (0.76) POLBL3MBTL1LMNAGAAKDM4E
SCHEMBL13102343 0.74 ALDH1A1 (0.58) POLBLMNAGAAKDM4EKMT2A
SCHEMBL3260388 0.74 ALDH1A1 (0.54) POLBKDM4EKMT2AALDH1A1MEN1
SCHEMBL14578751 0.74 POLB (0.85) POLBKMT2AALDH1A1MEN1MAPT
SCHEMBL13102348 0.74 MAPT (0.53) POLBKDM4EALDH1A1MAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
WO-2010115264-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 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-20100261714-A1 INHIBITORS OF HIV REPLICATION RTF2, POLR1A, REV1 POLB 48/4885L3MBTL1 1542/4885LMNA 2404/4885

“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.