SCHEMBL18157745

SCHEMBL18157745

C(=C/c1[nH]c2ccccc2c1/C=C/c1ccncn1)\c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ATM Q13315 1/20 0.42
FGFR1 P11362 1/20 0.41
CHEK1 O14757 1/20 0.40
PADI4 Q9UM07 2/20 0.37
GRM4 Q14833 1/20 0.36
PDE2A O00408 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PSMD14 O00487 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL18160332 0.95 KDM4E (0.39) PLK4KMT2AMEN1NPC1RAB9A
SCHEMBL18157756 0.90 KMT2A (0.52) PLK4KMT2AMEN1NPC1RAB9A
SCHEMBL18157765 0.84 ALK (0.50) PLK4KMT2AMEN1NPC1RAB9A
SCHEMBL18157747 0.84 ALK (0.50) PLK4KMT2AMEN1NPC1RAB9A
SCHEMBL18157780 0.77 PADI4 (0.41) KMT2AMEN1NPC1RAB9AATM
SCHEMBL18160331 0.76 MAPT (0.47) PLK4KMT2AMEN1NPC1RAB9A
SCHEMBL18157762 0.73 ALK (0.50) PLK4KMT2AMEN1NPC1RAB9A
SCHEMBL18160337 0.72 NPC1 (0.34) PLK4KMT2AMEN1NPC1RAB9A
SCHEMBL18157753 0.72 PADI4 (0.43) KMT2AMEN1NPC1RAB9APADI4
SCHEMBL710442 0.71 NPC1 (0.58) KMT2AMEN1NPC1RAB9AATM

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-20180155286-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2018-06-07 US disclosed
US-9834514-B2 Antibiotic sensitivity-restoring and photosensitive agents NEW MEXICO TECH RESEARCH FOUNDATION (US) 2017-12-05 US disclosed
US-20160304453-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2016-10-20 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 (2 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-20180155286-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS XPA, PPOX, ALAD PLK4 1462/4885KMT2A 2258/4885MEN1 1398/4885
US-20160304453-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS XPA, PPOX, ALAD PLK4 1462/4885KMT2A 2258/4885MEN1 1398/4885

“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.