SCHEMBL18157770

SCHEMBL18157770

C(=C/c1[nH]c2ncccc2c1/C=C/c1ccccc1)\c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.51
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
AURKA O14965 1/20 0.42
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
GRM4 Q14833 1/20 0.40
MAOB P27338 1/20 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
SCHEMBL18157776 0.79 ALK (0.42) ALKCYP11B1CYP11B2KDM4EMEN1
SCHEMBL18157765 0.77 ALK (0.50) ALKKDM4EMEN1NPC1RAB9A
SCHEMBL18157747 0.77 ALK (0.50) ALKKDM4EMEN1NPC1RAB9A
SCHEMBL20223300 0.77 CYP11B1 (0.58) ALKCYP11B1CYP11B2AURKAKDM4E
SCHEMBL18157768 0.75 KDM4E (0.42) ALKCYP11B1CYP11B2PARP1KDM4E
SCHEMBL18157755 0.75 NPC1 (0.50) ALKKDM4EMEN1NPC1RAB9A
SCHEMBL28555372 0.75 NPC1 (0.50) ALKKDM4EMEN1NPC1RAB9A
SCHEMBL18157762 0.74 ALK (0.50) ALKCYP11B1CYP11B2AURKAKDM4E
SCHEMBL18157727 0.73 CYP11B1 (0.53) ALKCYP11B1CYP11B2AURKAKDM4E
SCHEMBL20225455 0.72 CYP11B1 (0.51) ALKCYP11B1CYP11B2AURKAKDM4E

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 4816/4885CYP11B1 4651/4885CYP11B2 4652/4885
US-20180155286-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS XPA, PPOX, ALAD ALK 4816/4885CYP11B1 4651/4885CYP11B2 4652/4885
US-20160304453-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS XPA, PPOX, ALAD ALK 4816/4885CYP11B1 4651/4885CYP11B2 4652/4885

“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.