SCHEMBL1369423

SCHEMBL1369423

Cc1ccc(Sc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
HSD17B10 Q99714 1/20 0.52
MAPT P10636 7/20 0.50
ALDH1A1 P00352 6/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
RECQL P46063 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
PDE7A Q13946 2/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
PDE7B Q9NP56 1/20 0.49
USP47 Q96K76 1/20 0.47
GAA P10253 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL27957715 0.91 TSHR (0.58) CES2CES1HSD17B10MAPTALDH1A1
SCHEMBL6565670 0.87 HSD17B10 (0.52) HSD17B10MAPTALDH1A1TSHRMEN1
SCHEMBL19048971 0.81 PDE7A (0.71) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2221412 0.80 TSHR (0.58) CES2CES1HSD17B10MAPTALDH1A1
SCHEMBL20727298 0.80 MAPK1 (0.51) HSD17B10MAPTALDH1A1TSHRMEN1
SCHEMBL11574501 0.80 PDE7A (0.56) MAPTMEN1KMT2ASMN1; SMN2PDE7A
SCHEMBL11575191 0.80 TDP1 (0.53) MAPTALDH1A1TSHRCYP3A4MEN1
SCHEMBL11039924 0.79 TSHR (0.56) CES2CES1HSD17B10MAPTALDH1A1
Diphenylsulfane SCHEMBL27370215 0.78 PDE7A (0.56) HSD17B10MAPTALDH1A1MEN1KMT2A
SCHEMBL10478056 0.78 PDE7A (0.47) HSD17B10MAPTALDH1A1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 EP disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 CES2 3068/4885CES1 2198/4885HSD17B10 158/4885

“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.