SCHEMBL731856

SCHEMBL731856

Cc1cc(O)n(-c2ccccn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43
SPR P35270 2/20 0.41
NTRK1 P04629 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
PLK4 O00444 1/20 0.40

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
SCHEMBL31199123 1.00 MEN1 (0.50) MEN1KMT2APKMLMNAALDH1A1
SCHEMBL3461571 0.82 MAPT (0.56) MEN1KMT2APKMLMNAALDH1A1
SCHEMBL16770394 0.80 ALDH1A1 (0.42) MEN1KMT2APKMLMNAALDH1A1
SCHEMBL12759737 0.79 MEN1 (0.47) MEN1KMT2APKMLMNAALDH1A1
SCHEMBL6343068 0.79 CYP1A2 (0.59) MEN1KMT2APKMLMNAALDH1A1
SCHEMBL16768793 0.79 MAPK14 (0.49) ALDH1A1HPGDALOX15HSD17B10MAPT
SCHEMBL9293879 0.79 ALDH1A1 (0.42) MEN1KMT2APKMLMNAALDH1A1
SCHEMBL6448862 0.79 ALDH1A1 (0.46) MEN1KMT2APKMLMNAALDH1A1
SCHEMBL20028116 0.78 ALDH1A1 (0.53) MEN1KMT2APKMLMNAALDH1A1
SCHEMBL2011053 0.77 MAPT (0.50) MAPTSMN1; SMN2L3MBTL1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
EP-2855464-B1 NITRIC OXIDE DONOR NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2016-10-26 EP disclosed
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
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
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP 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
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US 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
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 MEN1 2567/4885KMT2A 3686/4885PKM 2811/4885

“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.