SCHEMBL18157780

SCHEMBL18157780

C(=C/c1[nH]c2ccccc2c1/C=C/c1ncccn1)\c1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.41
ALK Q9UM73 1/20 0.40
MEN1 O00255 7/20 0.39
MAPT P10636 7/20 0.39
KMT2A Q03164 7/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
PARP1 P09874 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 2/20 0.39
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39

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
SCHEMBL18157756 0.85 KMT2A (0.52) PADI4ALKMEN1MAPTKMT2A
SCHEMBL18157765 0.79 ALK (0.50) PADI4ALKMEN1MAPTKMT2A
SCHEMBL18157747 0.79 ALK (0.50) PADI4ALKMEN1MAPTKMT2A
SCHEMBL18160331 0.79 MAPT (0.47) ALKMEN1MAPTKMT2AALDH1A1
SCHEMBL18157751 0.78 NPC1 (0.39) ALKMEN1MAPTKMT2AALDH1A1
SCHEMBL18157775 0.78 RIOK2 (0.53) ALKMEN1MAPTKMT2AALDH1A1
SCHEMBL18160332 0.78 KDM4E (0.39) PADI4ALKMEN1MAPTKMT2A
SCHEMBL28555372 0.77 NPC1 (0.50) ALKMEN1MAPTKMT2AALDH1A1
SCHEMBL18157755 0.77 NPC1 (0.50) ALKMEN1MAPTKMT2AALDH1A1
SCHEMBL18157766 0.77 ALK (0.39) ALKMEN1MAPTKMT2AALDH1A1

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 7 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
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 PADI4 2584/4885ALK 4816/4885MEN1 1398/4885
US-20180155286-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS XPA, PPOX, ALAD PADI4 2584/4885ALK 4816/4885MEN1 1398/4885
US-20160304453-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS XPA, PPOX, ALAD PADI4 2584/4885ALK 4816/4885MEN1 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.