SCHEMBL17829639

SCHEMBL17829639

Cc1cccc2c(NCCCN(C)C)nc(-c3c[nH]c4ccccc34)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 5/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 4/20 0.44
TOP2A P11388 2/20 0.44
RXFP1 Q9HBX9 1/20 0.42
TERT O14746 1/20 0.42
SLC6A4 P31645 1/20 0.41
NPC1 O15118 1/20 0.40
SLC2A1 P11166 1/20 0.40
APOBEC3A P31941 1/20 0.40
RAB9A P51151 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
FLT3 P36888 2/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL17829648 0.87 POLB (0.46) POLBTOP2ASLC2A1FLT3GAA
SCHEMBL17829689 0.85 SLC6A4 (0.46) RAD52ALDH1A1MAPK1KMT2APOLB
SCHEMBL17829568 0.79 RAD52 (0.59) RAD52ALDH1A1MAPK1KMT2APOLB
SCHEMBL17829636 0.79 RAD52 (0.47) RAD52ALDH1A1MAPK1KMT2APOLB
SCHEMBL17829800 0.78 RAD52 (0.58) RAD52ALDH1A1MAPK1KMT2APOLB
SCHEMBL17829819 0.77 RAD52 (0.53) RAD52ALDH1A1MAPK1KMT2APOLB
SCHEMBL17833264 0.77 ROCK2 (0.56) RAD52ALDH1A1MAPK1KMT2APOLB
SCHEMBL17833263 0.75 CCR4 (0.51) KMT2AFLT3
SCHEMBL17829655 0.75 RAD52 (0.46) RAD52ALDH1A1MAPK1KMT2APOLB
SCHEMBL17829861 0.75 RAD52 (0.59) RAD52ALDH1A1MAPK1KMT2APOLB

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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 RAD52 1940/4885ALDH1A1 4840/4885MAPK1 192/4885

“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.