SCHEMBL17847486

SCHEMBL17847486

O=C=Nc1ccccc1-c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
CYP2A6 P11509 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
PTPRC P08575 1/20 0.39
MAPK1 P28482 2/20 0.38
DPP4 P27487 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL112824 0.87 CYP3A4 (0.56) CYP3A4PTPRCMAPK1TDP1NPC1
SCHEMBL393344 0.85 CYP3A4 (0.44) CYP3A4CYP2A6HTR3EHTR3BHTR3A
SCHEMBL29099802 0.85 CYP3A4 (0.54) CYP3A4PTPRCMAPK1TDP1NPC1
SCHEMBL29537333 0.83 CYP3A4 (0.52) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL93270 0.83 CYP3A4 (0.52) CYP3A4HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL9078906 0.81 CYP3A4 (0.50) CYP3A4HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL9078903 0.81 CYP3A4 (0.50) CYP3A4HTR3EHTR3BHTR3AHTR3D
Methane SCHEMBL27995664 0.81 CYP3A4 (0.50) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL15989929 0.80 ALDH1A1 (0.46) CYP3A4CYP2A6HTR3EHTR3BHTR3A
SCHEMBL6999020 0.79 CYP3A4 (0.48) CYP3A4HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233791-B1 MOISTURE STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2020-08-12 EP disclosed
US-10329244-B2 Moisture-stable holographic media COVESTRO DEUTSCHLAND AG (DE) 2019-06-25 US disclosed
US-20170362165-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2017-12-21 US disclosed
EP-3233791-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA Covestro Deutschland AG (DE) 2017-10-25 EP disclosed
WO-2016096641-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2016-06-23 WO 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 (2 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-10329244-B2 Moisture-stable holographic media NEFM, MDM4, BHMT2 CYP3A4 3992/4885CYP2A6 2626/4885HTR3E 1566/4885
US-20170362165-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA NEFM, MDM4, BHMT2 CYP3A4 3992/4885CYP2A6 2626/4885HTR3E 1566/4885

“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.