SCHEMBL19938372

SCHEMBL19938372

S=P12c3c4cccc3N(c3ccccc3)c3cc5c(ccc6ccccc65)c(c31)N(c1ccccc1)c1cccc(c12)N4c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPRT1 P00492 3/20 0.35
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 2/20 0.30
HSD17B10 Q99714 2/20 0.30
HIF1A Q16665 1/20 0.30
CYP1B1 Q16678 1/20 0.30
CYP2A6 P11509 1/20 0.30
TSHR P16473 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL19938444 0.91 CYP1A2 (0.32) CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL22195346 0.87 CES2 (0.33) ALDH1A1
SCHEMBL19939050 0.86
SCHEMBL22096185 0.85 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19HPRT1TDP1
SCHEMBL19939056 0.82
SCHEMBL19939068 0.82
SCHEMBL19938509 0.81 PDE6D (0.33) CYP1A2
SCHEMBL19939035 0.81 FAAH (0.32) ALDH1A1
SCHEMBL22195388 0.80
SCHEMBL19938543 0.79 CYP1A2 (0.34) CYP1A2CYP2C9CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11653565-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-05-16 US disclosed
US-11653565-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-05-16 US disclosed
US-20200220083-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-07-09 US disclosed
US-10686141-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-06-16 US disclosed
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-03-08 US disclosed
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-03-08 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 (4 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-11653565-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 CYP1A2 3552/4885CYP2C9 2557/4885CYP2C19 2524/4885
US-10686141-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 CYP1A2 3552/4885CYP2C9 2557/4885CYP2C19 2524/4885
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 CYP1A2 3552/4885CYP2C9 2557/4885CYP2C19 2524/4885
US-20200220083-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 CYP1A2 3552/4885CYP2C9 2557/4885CYP2C19 2524/4885

“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.