SCHEMBL731278

SCHEMBL731278

O=C(O)c1cc(Cl)nc(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NR4A2 P43354 4/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
MRGPRX4 Q96LA9 4/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
TP53 P04637 1/20 0.48
XBP1 P17861 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXRA P19793 3/20 0.48
RXRB P28702 3/20 0.48
SRD5A2 P31213 2/20 0.47
ALKBH1 Q13686 1/20 0.46

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
SCHEMBL12076214 0.91 MEN1 (0.67) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL30931811 0.86 LMNA (0.59) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL730969 0.86 LMNA (0.59) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL18767167 0.81 ALOX5 (0.43) MEN1KMT2AHPGDTP53GRM5
SCHEMBL8384805 0.78 PIN1 (0.47) NPC1PTGER1GRM5
SCHEMBL14744985 0.78 ALOX5 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL899603 0.78 MAPT (0.50) MEN1KMT2ARXRARXRB
SCHEMBL31287796 0.78 ALOX5 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL603696 0.77 NUDT1 (0.48) SMN1; SMN2PTGER1GRM5
SCHEMBL18748481 0.77 F10 (0.55) MEN1KMT2AHPGDSRD5A2

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 7 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
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
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 MEN1 2567/4885KMT2A 3686/4885NR4A2 915/4885

“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.