SCHEMBL18157766

SCHEMBL18157766

C(=C/c1[nH]c2ccccc2c1/C=C/c1ncco1)\c1ncco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.39
MAPT P10636 10/20 0.38
MEN1 O00255 8/20 0.38
KMT2A Q03164 8/20 0.38
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 7/20 0.38
NPSR1 Q6W5P4 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 2/20 0.38
TDO2 P48775 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
NFKB1 P19838 1/20 0.38

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 0.77 PADI4 (0.41) ALKMAPTMEN1KMT2AKDM4E
SCHEMBL18157756 0.76 KMT2A (0.52) ALKMAPTMEN1KMT2AKDM4E
SCHEMBL18160331 0.73 MAPT (0.47) ALKMAPTMEN1KMT2AKDM4E
SCHEMBL18157775 0.72 RIOK2 (0.53) ALKMAPTMEN1KMT2AKDM4E
SCHEMBL18157751 0.72 NPC1 (0.39) ALKMAPTMEN1KMT2AKDM4E
SCHEMBL18160332 0.72 KDM4E (0.39) ALKMAPTMEN1KMT2AKDM4E
SCHEMBL28555372 0.72 NPC1 (0.50) ALKMAPTMEN1KMT2AKDM4E
SCHEMBL18157755 0.72 NPC1 (0.50) ALKMAPTMEN1KMT2AKDM4E
SCHEMBL18160293 0.71 MEN1 (0.33) ALKMAPTMEN1KMT2AKDM4E
SCHEMBL18157762 0.71 ALK (0.50) ALKMAPTMEN1KMT2AKDM4E

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 ALK 4816/4885MAPT 2538/4885MEN1 1398/4885
US-20180155286-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS XPA, PPOX, ALAD ALK 4816/4885MAPT 2538/4885MEN1 1398/4885
US-20160304453-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS XPA, PPOX, ALAD ALK 4816/4885MAPT 2538/4885MEN1 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.