SCHEMBL23479216

SCHEMBL23479216

CC(C)c1ccnc2cccc(Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
ELANE P08246 1/20 0.36
CYP1A2 P05177 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
PNMT P11086 1/20 0.35
LMNA P02545 3/20 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
SCHEMBL23979801 0.93 ELANE (0.39) PARP1ELANECYP1A2ALDH1A1HPGD
SCHEMBL27010719 0.85 ELANE (0.43) ELANECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL827170 0.80 ELANE (0.42) PARP1ELANECYP1A2HPGDCYP3A4
SCHEMBL25636291 0.79 PARP1 (0.41) PARP1ELANECYP1A2HPGDALOX15
SCHEMBL6465602 0.78 PARP1 (0.50) PARP1ELANECYP1A2ALDH1A1HPGD
SCHEMBL29404834 0.78 PARP1 (0.50) PARP1ELANECYP1A2ALDH1A1HPGD
SCHEMBL26632774 0.77 NR4A2 (0.33) LMNANR4A2
SCHEMBL23979550 0.77 HTR2A (0.38) PARP1CYP1A2ALDH1A1CYP2C19L3MBTL1
SCHEMBL18368390 0.76 ELANE (0.40) PARP1ELANECYP1A2HPGDALOX15
SCHEMBL4620129 0.76 PARP1 (0.44) PARP1ELANECYP1A2ALDH1A1HPGD

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-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 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 (3 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-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 PARP1 3318/4885ELANE 353/4885CYP1A2 4533/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 PARP1 2076/4885ELANE 381/4885CYP1A2 4271/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 PARP1 2076/4885ELANE 381/4885CYP1A2 4271/4885

“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.