SCHEMBL20735485

SCHEMBL20735485

Nc1ccc2ccc3c4ccccc4ccc3c2c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 4/20 0.57
▸ HSD17B10 Q99714 5/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 4/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ THRB P10828 1/20 0.52
▸ TSHR P16473 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ ERBB2 P04626 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ AHR P35869 1/20 0.47
▸ CYP3A4 P08684 3/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ PAX8 Q06710 1/20 0.42
▸ HIF1A Q16665 3/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ MAPK1 P28482 3/20 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
SCHEMBL8370428 0.90 HSD17B10 (0.50) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL18600599 0.86 HSD17B10 (0.50) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL29407390 0.85 HPRT1 (0.64) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL175362 0.85 HPRT1 (0.64) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL869941 0.85 HPRT1 (0.64) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL20735859 0.85 ALDH1A1 (0.59) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL14743031 0.83 HPRT1 (0.51) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL6067770 0.83 HPRT1 (0.37) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL31668850 0.83 KEAP1 (0.43) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL992207 0.83 KEAP1 (0.43) HPRT1HSD17B10ALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995217-B2 Compounds as potential dye molecules Lleaf Pty Ltd (AU) 2021-05-04 — — US disclosed
US-20200199367-A1 COMPOUNDS AS POTENTIAL DYE MOLECULES Lleaf Pty Ltd (AU) 2020-06-25 — — US disclosed
WO-2019028508-A1 \"COMPOUNDS AS POTENTIAL DYE MOLECULES\ Lleaf Pty Ltd (AU) 2019-02-14 — — 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-20200199367-A1 COMPOUNDS AS POTENTIAL DYE MOLECULES ALDH1A2, SDHA, TYR HPRT1 912/4885HSD17B10 1347/4885ALDH1A1 5/4885
US-10995217-B2 Compounds as potential dye molecules ALDH1A2, SDHA, TYR HPRT1 912/4885HSD17B10 1347/4885ALDH1A1 5/4885

“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.

Send feedback