SCHEMBL23478355

SCHEMBL23478355

Cc1nc2cc(C(C)(C)C)cc(Cl)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
PDE2A O00408 3/20 0.35
HTT P42858 1/20 0.35
PARP1 P09874 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TYMS P04818 2/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CYP1A2 P05177 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31

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
SCHEMBL15381367 0.85 MAPT (0.41) ALDH1A1PDE2AMAPTGAAHSD17B10
SCHEMBL9505765 0.78 HTT (0.52) ALDH1A1HTTPARP1GAAHSD17B10
SCHEMBL23473991 0.78 ALDH1A1 (0.43) ALDH1A1HTTPARP1MAPTGAA
SCHEMBL1286353 0.75 ALDH1A1 (0.41) ALDH1A1HTTPARP1MAPTHSD17B10
SCHEMBL13351381 0.75 ALDH1A1 (0.41) ALDH1A1HTTPARP1MAPTGAA
SCHEMBL17595095 0.75 ALDH1A1 (0.41) ALDH1A1HTTPARP1MAPTGAA
SCHEMBL28592630 0.72 ALDH1A1 (0.39) ALDH1A1HTTPARP1TYMSCSNK2A1
SCHEMBL1285923 0.72 KDM4E (0.43) ALDH1A1HTTPARP1HSD17B10TYMS
SCHEMBL18659782 0.72 GABRA2 (0.38) ALDH1A1PDE2AMAPTPOLBKDM4E
SCHEMBL25054307 0.71 ALDH1A1 (0.38) ALDH1A1HTTPARP1TYMSCSNK2A1

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 8 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-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-11661418-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-05-30 US disclosed
US-11661418-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-05-30 US disclosed
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-17 US disclosed
US-20210171512-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
US-20210171531-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 (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-20210171531-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ALDH1A1 4709/4885PDE2A 2106/4885HTT 2319/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 ALDH1A1 4709/4885PDE2A 2106/4885HTT 2319/4885
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ALDH1A1 4709/4885PDE2A 2106/4885HTT 2319/4885
US-20210171512-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ALDH1A1 4709/4885PDE2A 2106/4885HTT 2319/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 ALDH1A1 4709/4885PDE2A 2106/4885HTT 2319/4885
US-11661418-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 ALDH1A1 4709/4885PDE2A 2106/4885HTT 2319/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ALDH1A1 4709/4885PDE2A 2106/4885HTT 2319/4885

“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.