SCHEMBL13240451

SCHEMBL13240451

COC(=O)Cc1cc(=O)nc(/N=C(\N)C(C)(C)C)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 7/20 0.37
POLB P06746 4/20 0.35
ALOX15 P16050 2/20 0.35
CASP1 P29466 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
USP2 O75604 1/20 0.34
MEN1 O00255 3/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 3/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 3/20 0.33
HSD17B10 Q99714 3/20 0.32

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
SCHEMBL13265663 0.84 KMT2A (0.41) KMT2AGAAKDM4EPOLBALOX15
SCHEMBL14029139 0.75 KDM4E (0.39) KMT2AGAAKDM4EPOLBALOX15
SCHEMBL14942692 0.73 USP2 (0.45) KMT2AGAAKDM4EPOLBALOX15
SCHEMBL14047417 0.71 KDM4E (0.40) KMT2AKDM4EPOLBALOX15CASP1
SCHEMBL14537687 0.62 POLB (0.49) KMT2AGAAKDM4EPOLBCASP1
SCHEMBL14123250 0.62 SMN1; SMN2 (0.71) CASP1L3MBTL1USP2TSHRLMNA
SCHEMBL13265665 0.61 POLB (0.62) KMT2AGAAKDM4EPOLBCASP1
SCHEMBL30595147 0.61 KDM4E (0.41) KMT2AKDM4EPOLBALOX15CASP1
SCHEMBL14906960 0.60 MAPK1 (0.37) KMT2AGAAKDM4EPOLBALOX15
SCHEMBL22640186 0.60 MAPT (0.60) KMT2ACASP1L3MBTL1TSHRMAPT

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-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 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-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 KMT2A 1930/4885GAA 2856/4885KDM4E 980/4885

“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.