SCHEMBL13265665

SCHEMBL13265665

CCCc1cc(=O)nc(/N=C(\N)Nc2ccc(OC)cc2)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.62
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 3/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
CRHBP P24387 2/20 0.49
CRHR2 Q13324 2/20 0.49
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
PTGIR P43119 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL14542713 0.91 POLB (0.64) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL14537687 0.90 POLB (0.49) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL13240450 0.86 POLB (0.64) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL17975331 0.67 SMN1; SMN2 (0.41) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL9179995 0.66 SIGMAR1 (0.66) KMT2ALMNACRHBPCRHR2
SCHEMBL17233866 0.66 SIGMAR1 (0.66) KMT2ALMNACRHBPCRHR2
SCHEMBL15546585 0.66 ADRA2A (0.73) ALDH1A1HTTCRHBPCRHR2SMN1; SMN2
SCHEMBL13265663 0.65 KMT2A (0.41) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL17988277 0.64 POLB (0.41) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL17226741 0.63 MAPT (0.49) POLBKMT2AALDH1A1MAPTLMNA

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-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

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 POLB 26/4885KMT2A 1930/4885ALDH1A1 4359/4885

“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.