SCHEMBL18157751

SCHEMBL18157751

C(=C/c1[nH]c2ccccc2c1/C=C/c1ncc[nH]1)\c1ncc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
MCL1 Q07820 1/20 0.39
ALK Q9UM73 1/20 0.37
MAPT P10636 7/20 0.36
MEN1 O00255 7/20 0.36
KMT2A Q03164 7/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 5/20 0.36
KDM4E B2RXH2 5/20 0.36
NPSR1 Q6W5P4 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
NFKB1 P19838 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 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
SCHEMBL18157780 0.78 PADI4 (0.41) NPC1RAB9AMCL1ALKMAPT
SCHEMBL18157756 0.77 KMT2A (0.52) NPC1RAB9AALKMAPTMEN1
SCHEMBL18160331 0.74 MAPT (0.47) NPC1RAB9AMCL1ALKMAPT
SCHEMBL18160295 0.73 NPC1 (0.39) NPC1RAB9AMCL1ALKMAPT
SCHEMBL18157775 0.73 RIOK2 (0.53) NPC1RAB9AALKMAPTMEN1
SCHEMBL18160332 0.73 KDM4E (0.39) NPC1RAB9AALKMAPTMEN1
SCHEMBL28555372 0.73 NPC1 (0.50) NPC1RAB9AMCL1ALKMAPT
SCHEMBL18157755 0.73 NPC1 (0.50) NPC1RAB9AMCL1ALKMAPT
SCHEMBL18157766 0.72 ALK (0.39) NPC1RAB9AMCL1ALKMAPT
SCHEMBL18157762 0.72 ALK (0.50) NPC1RAB9AMCL1ALKMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239834-B2 Antibiotic sensitivity-restoring and photosensitive agents NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION (US) 2019-03-26 US disclosed
US-20180155286-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2018-06-07 US disclosed
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 (3 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-10239834-B2 Antibiotic sensitivity-restoring and photosensitive agents XPA, PPOX, ALAD NPC1 1892/4885RAB9A 679/4885MCL1 4/4885
US-20180155286-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS XPA, PPOX, ALAD NPC1 1892/4885RAB9A 679/4885MCL1 4/4885
US-20160304453-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS XPA, PPOX, ALAD NPC1 1892/4885RAB9A 679/4885MCL1 4/4885

“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.