SCHEMBL730434

SCHEMBL730434

CC(=O)Nc1cccc(-c2c[c]cc(-c3nnn[nH]3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.50
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
TP53 P04637 2/20 0.47
STAT1 P42224 1/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BRAF P15056 3/20 0.45
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
PLK1 P53350 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6694019 0.84 MAPT (0.59) FYNMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL732981 0.75 IDO1 (0.40) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL731210 0.75 CTSS (0.41)
SCHEMBL731571 0.75 NR1H2 (0.44) MAPTSMN1; SMN2RAB9ATSHRPLK1
SCHEMBL3011060 0.74 GRK6 (0.44) FYNMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL733019 0.74 MEN1 (0.39) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL22167182 0.73 MGLL (0.54) MAPTALDH1A1MEN1KMT2A
SCHEMBL9314587 0.72 MGLL (0.45) MAPTSMN1; SMN2NPC1RAB9ATP53
Acitazanolast SCHEMBL3116621 0.72 GPR35 (0.53) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL5612710 0.71 MAPT (0.59) FYNMAPTSMN1; SMN2NPC1RAB9A

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 FYN 3873/4885MAPT 4484/4885SMN1; SMN2 3531/4885

“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.