SCHEMBL1908196

SCHEMBL1908196

CCc1[c]cnn1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.41
ALDH1A1 P00352 7/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
PPARG P37231 1/20 0.36
BLM P54132 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL1086390 0.86 USP2 (0.38) NR4A3ALDH1A1MAPK1L3MBTL1GAA
SCHEMBL316519 0.79 RAB9A (0.41) ALDH1A1MAPK1POLBRAB9ANPC1
SCHEMBL16927586 0.76 MAPT (0.46) ALDH1A1L3MBTL1POLBRAB9ANPC1
SCHEMBL2076387 0.71 POLB (0.48) ALDH1A1MAPK1L3MBTL1POLBRAB9A
SCHEMBL1907972 0.70 NPC1 (0.40) NR4A3ALDH1A1MAPK1GAAPOLB
SCHEMBL1904592 0.70 ALDH1A1 (0.38) ALDH1A1MAPK1GAAPOLBRAB9A
SCHEMBL7037862 0.70 ALDH1A1 (0.40) NR4A3ALDH1A1MAPK1L3MBTL1GAA
SCHEMBL698662 0.69 NPC1 (0.46) ALDH1A1MAPK1L3MBTL1POLBRAB9A
SCHEMBL219809 0.67 SMN1; SMN2 (0.41) ALDH1A1GAAPOLBRAB9ANPC1
SCHEMBL3392199 0.67 POLB (0.36) ALDH1A1L3MBTL1POLBRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 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 (1 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 NR4A3 1109/4885ALDH1A1 4287/4885MAPK1 163/4885

“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.