SCHEMBL19608698

SCHEMBL19608698

Cn1cc2ccccc2c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.39
KEAP1 Q14145 1/20 0.39
GPR84 Q9NQS5 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTR2A P28223 1/20 0.36
CYP2A6 P11509 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR3A P46098 1/20 0.36
GPR3 P46089 1/20 0.36
BRD4 O60885 4/20 0.35
F12 P00748 1/20 0.34
PLAU P00749 1/20 0.34
NCF1 P14598 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 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
SCHEMBL8149494 0.74 CYP2A6 (0.41) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL11171017 0.74 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL19454794 0.73 CYP2A6 (0.39) ALDH1A1HSD17B10TSHRGPR84KDM4E
SCHEMBL26596973 0.72 EGFR (0.39) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL26617799 0.72 HTR2A (0.37) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL18233737 0.70 GPR84 (0.34) ALDH1A1HSD17B10TSHRGPR84KDM4E
SCHEMBL10129281 0.70 GPR84 (0.34) ALDH1A1HSD17B10TSHRGPR84KDM4E
SCHEMBL22536926 0.70 BRD4 (0.44) ALDH1A1HSD17B10HPGDCYP3A4KDM4E
SCHEMBL13657554 0.70 GPR84 (0.34) ALDH1A1HSD17B10TSHRGPR84KDM4E
SCHEMBL11716121 0.70 GPR84 (0.38) ALDH1A1HSD17B10TSHRGPR84KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4272832-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. (US) 2023-11-08 EP disclosed
US-11114626-B2 Metal compounds, methods, and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-09-07 US disclosed
US-20210139522-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. 2021-05-13 US disclosed
US-20200227660-A1 Metal Compounds, Methods, and Uses Thereof UNIV ARIZONA STATE (US) 2020-07-16 US disclosed
US-10622571-B2 Metal compounds, methods, and uses thereof ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2020-04-14 US disclosed
EP-3189050-B1 ANTIVIRAL AGENTS AND USES THEREOF UNIV GRIFFITH (AU) 2020-02-05 EP disclosed
US-10211414-B2 Phosphorescent tetradentate metal complexes having modified emission spectra ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-02-19 US disclosed
US-20180226592-A1 Metal Compounds, Methods, and Uses Thereof ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-08-09 US disclosed
US-9899614-B2 Phosphorescent tetradentate metal complexes having modified emission spectra ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-02-20 US disclosed
US-20170331056-A1 PHOSPHORESCENT TETRADENTATE METAL COMPLEXES HAVING MODIFIED EMISSION SPECTRA ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2017-11-16 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 (7 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-20200227660-A1 Metal Compounds, Methods, and Uses Thereof SOD1, SOD3, AOX1 ALDH1A1 862/4885HSD17B10 298/4885TSHR 4383/4885
US-20180226592-A1 Metal Compounds, Methods, and Uses Thereof SOD1, SOD3, AOX1 ALDH1A1 862/4885HSD17B10 298/4885TSHR 4383/4885
US-20210139522-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF CFTR, ABCB11, CEL ALDH1A1 1859/4885HSD17B10 825/4885TSHR 4598/4885
US-20170331056-A1 PHOSPHORESCENT TETRADENTATE METAL COMPLEXES HAVING MODIFIED EMISSION SPECTRA AP2S1, PICALM, TRPC3 ALDH1A1 3908/4885HSD17B10 4817/4885TSHR 2686/4885
US-10622571-B2 Metal compounds, methods, and uses thereof SOD1, SOD3, AOX1 ALDH1A1 862/4885HSD17B10 298/4885TSHR 4383/4885
US-11114626-B2 Metal compounds, methods, and uses thereof SOD1, SOD3, AOX1 ALDH1A1 862/4885HSD17B10 298/4885TSHR 4383/4885
US-10211414-B2 Phosphorescent tetradentate metal complexes having modified emission spectra AP2S1, PICALM, TRPC3 ALDH1A1 3908/4885HSD17B10 4817/4885TSHR 2686/4885

“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.