SCHEMBL3185237

SCHEMBL3185237

C=CCCN(C(=O)OCc1ccccc1)c1cc(OC)cc(C(=O)OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
ATM Q13315 1/20 0.37
CCR6 P51684 1/20 0.36

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
SCHEMBL3184630 0.92 KMT2A (0.41) KMT2AHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL2526880 0.90 TSHR (0.47) KMT2AHPGDLMNAALDH1A1MAPT
SCHEMBL3935516 0.82 ALDH1A1 (0.40) HPGDLMNAALDH1A1MAPTKDM4E
SCHEMBL2528124 0.81 TSHR (0.49) KMT2AHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL4880234 0.80 HPGD (0.42) KMT2AHPGDLMNAALDH1A1MAPT
SCHEMBL4878311 0.79 HPGD (0.47) KMT2AHPGDLMNAALDH1A1MAPT
SCHEMBL2532552 0.78 HPGD (0.44) KMT2AHPGDLMNAALDH1A1MAPT
SCHEMBL2530507 0.78 ALDH1A1 (0.43) KMT2AHPGDLMNAALDH1A1MAPT
SCHEMBL2533468 0.78 ALDH1A1 (0.43) KMT2AHPGDLMNAALDH1A1MAPT
SCHEMBL2531178 0.77 HPGD (0.42) KMT2AHPGDLMNAALDH1A1MAPT

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
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof NOVARTIS AG 2010-01-28 US disclosed
US-7612055-B2 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-03-29 US disclosed
EP-1682521-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF Novartis AG (CH) 2006-07-26 EP disclosed
WO-2005049585-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF NOVARTIS AG (CH) 2005-06-02 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 (2 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-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof RPS11, MRPL21, RPS4Y1 KMT2A 3031/4885HPGD 1948/4885LMNA 1989/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 KMT2A 3031/4885HPGD 1948/4885LMNA 1989/4885

“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.