SCHEMBL18160331

SCHEMBL18160331

C(=C/c1[nH]c2ccccc2c1/C=C/c1ccncc1)\c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
PSMD14 O00487 1/20 0.47
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
CYP2D6 P10635 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
ALPG P10696 1/20 0.46
HTT P42858 1/20 0.46
ALK Q9UM73 1/20 0.46
PLK4 O00444 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL18157762 0.97 ALK (0.50) MAPTMEN1KMT2AL3MBTL1PSMD14
SCHEMBL20225455 0.90 CYP11B1 (0.51) MAPTMEN1KMT2AL3MBTL1PSMD14
SCHEMBL18157755 0.86 NPC1 (0.50) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL28555372 0.86 NPC1 (0.50) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL20223300 0.84 CYP11B1 (0.58) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL18157727 0.83 CYP11B1 (0.53) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL18157753 0.83 PADI4 (0.43) MAPTMEN1KMT2AL3MBTL1PSMD14
SCHEMBL3264394 0.83 MAPT (0.46) MAPTMEN1KMT2AL3MBTL1PSMD14
SCHEMBL18157765 0.81 ALK (0.50) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL18157747 0.81 ALK (0.50) MAPTMEN1KMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160304453-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS XPA, PPOX, ALAD MAPT 2538/4885MEN1 1398/4885KMT2A 2258/4885

“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.