SCHEMBL732981

SCHEMBL732981

Fc1cccc(-c2c[c]cc(-c3nnn[nH]3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
PIM1 P11309 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL730958 0.84 RAB9A (0.33) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL733019 0.82 MEN1 (0.39) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL704854 0.80 MGAM (0.43) IDO1MAPTKDM4EALOX15NFKB1
SCHEMBL731571 0.80 NR1H2 (0.44) MAPTNFKB1NFKB2RELASMN1; SMN2
SCHEMBL731210 0.78 CTSS (0.41)
SCHEMBL730434 0.75 FYN (0.50) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL730964 0.74 DCUN1D1 (0.38) IDO1KMT2ALMNAMGAMGAA
SCHEMBL733059 0.72 NPC1 (0.40) MAPTMEN1KMT2AKDM4ENFKB1
SCHEMBL731569 0.72 F2RL3 (0.34) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL730987 0.72 SCN5A (0.40) MAPTKDM4EGAANOTUMNPC1

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 IDO1 280/4885MAPT 4484/4885MEN1 2567/4885

“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.