SCHEMBL18157727

SCHEMBL18157727

C(=C/c1[nH]c2ccccc2c1/C=C/c1cccnc1)\c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
PLK4 O00444 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ALK Q9UM73 1/20 0.46
PADI4 Q9UM07 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
TDO2 P48775 2/20 0.42
ACHE P22303 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL20223300 0.97 CYP11B1 (0.58) CYP11B1CYP11B2PLK4MEN1KMT2A
SCHEMBL20225455 0.95 CYP11B1 (0.51) CYP11B1CYP11B2PLK4MEN1KMT2A
SCHEMBL18157753 0.85 PADI4 (0.43) MEN1KMT2ARAB9ANPC1ALK
SCHEMBL18157762 0.84 ALK (0.50) CYP11B1CYP11B2PLK4MEN1KMT2A
SCHEMBL18160331 0.83 MAPT (0.47) PLK4MEN1KMT2ARAB9ANPC1
SCHEMBL18157755 0.82 NPC1 (0.50) PLK4MEN1KMT2ARAB9ANPC1
SCHEMBL28555372 0.82 NPC1 (0.50) PLK4MEN1KMT2ARAB9ANPC1
SCHEMBL18157765 0.77 ALK (0.50) PLK4MEN1KMT2ARAB9ANPC1
SCHEMBL18157747 0.77 ALK (0.50) PLK4MEN1KMT2ARAB9ANPC1
SCHEMBL18160335 0.76 KDM4E (0.43) CYP11B1CYP11B2MEN1KMT2ARAB9A

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 6 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-9834514-B2 Antibiotic sensitivity-restoring and photosensitive agents NEW MEXICO TECH RESEARCH FOUNDATION (US) 2017-12-05 US disclosed
WO-2016172193-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS NEW MEXICO TECH RESEARCH FOUNDATION (US) 2016-10-27 WO disclosed
US-20160304453-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2016-10-20 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 CYP11B1 4651/4885CYP11B2 4652/4885PLK4 1462/4885
US-20160304453-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS XPA, PPOX, ALAD CYP11B1 4651/4885CYP11B2 4652/4885PLK4 1462/4885

“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.