SCHEMBL731528

SCHEMBL731528

Cc1nn(-c2ccccn2)c2s[c]cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
SPR P35270 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR4 Q5NUL3 4/20 0.38
CCNA2 P20248 4/20 0.38
CDK2 P24941 4/20 0.38
CCNO P22674 1/20 0.37
CCNE1 P24864 1/20 0.37

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
SCHEMBL732917 0.82 FFAR4 (0.42) MAPTALDH1A1HPGDHSD17B10ALOX15
SCHEMBL731118 0.81 L3MBTL1 (0.45) MAPTALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL732823 0.80 MAPT (0.34) MAPTALDH1A1HPGDHSD17B10ALOX15
SCHEMBL733180 0.79 GRM7 (0.35) MAPTALDH1A1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL31327144 0.69 ALDH1A1 (0.70) MAPTALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL731946 0.69 ALDH1A1 (0.70) MAPTALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL18949733 0.68 ALDH1A1 (0.55) MAPTALDH1A1HPGDHSD17B10ALOX15
SCHEMBL713236 0.67 KMT2A (0.44) MAPTALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL3683672 0.67 ALDH1A1 (0.50) MAPTALDH1A1HPGDHSD17B10ALOX15
SCHEMBL730513 0.67 ADORA1 (0.34) MAPTL3MBTL1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 MAPT 4484/4885ALDH1A1 113/4885HPGD 2417/4885

“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.