SCHEMBL6772043

SCHEMBL6772043

C#CC(c1ccccc1)n1c(C#Cc2ccccc2)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 2/20 0.37
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
GRM5 P41594 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 3/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APP P05067 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNH2 Q12809 1/20 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
SCHEMBL20777186 0.70 SMN1; SMN2 (0.50) KMT2AMEN1LMNATSHRKDM4E
SCHEMBL8548657 0.69 MAPK1 (0.53) KMT2AMEN1TSHRHSD17B10KDM4E
SCHEMBL6770806 0.66 NPC1 (0.52) KMT2AMEN1LMNATSHRTP53
SCHEMBL31702451 0.64 CYP1A2 (0.39) KMT2AMEN1LMNATSHRHSD17B10
SCHEMBL15335420 0.62 HPGD (0.48) KMT2AMEN1TSHRHSD17B10POLB
SCHEMBL20767422 0.61 TP53 (0.61) KMT2AMEN1LMNATSHRTP53
SCHEMBL484207 0.60 NPC1 (0.55) KMT2AMEN1LMNATP53HSD17B10
Diphenylacetylene SCHEMBL27628902 0.59 APP (0.92) KMT2AMEN1TSHRTP53HSD17B10
SCHEMBL30523605 0.59 MAPK1 (0.56) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL23704415 0.58 SMN1; SMN2 (0.55) KMT2AMEN1LMNATSHRTP53

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-6686345-B2 INCLUDES AN AZA-ENEDIYNE, AZA-ENYNE ALLENE, OR AN AZA-DIALLENE; ARE PREFERABLY NON-HYDROLYZABLE, CATIONIC COMPOUNDS THAT BIND TO NUCLEIC ACIDS. RESEARCH DEVELOPMENT FOUNDATION 2004-02-03 US disclosed
US-20020132797-A1 DNA-cleaving antitumor agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-19 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-20020132797-A1 DNA-cleaving antitumor agents DNASE1, DNASE1L3, DCLRE1B KMT2A 1656/4885MEN1 1380/4885LMNA 339/4885

“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.