SCHEMBL1671998

SCHEMBL1671998

Nc1ccc(Cl)c(C(=O)Nc2ccc(Br)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
JAK2 O60674 2/20 0.54
TYK2 P29597 2/20 0.54
HDAC8 Q9BY41 1/20 0.54
GAA P10253 2/20 0.53
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
CYP1A2 P05177 1/20 0.50
LCK P06239 1/20 0.50
CYP2C9 P11712 1/20 0.50
PTGS1 P23219 1/20 0.50

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
SCHEMBL18145960 0.88 HDAC8 (0.64) KMT2AMEN1JAK2TYK2HDAC8
SCHEMBL12800014 0.85 LMNA (0.59) KMT2AMEN1JAK2TYK2HDAC8
SCHEMBL18145998 0.85 JAK2 (0.54) KMT2AMEN1JAK2TYK2HDAC8
SCHEMBL3441208 0.85 MAPK1 (0.56) KMT2AMEN1JAK2TYK2HDAC8
SCHEMBL18147348 0.84 PPARG (0.61) KMT2AMEN1JAK2TYK2MAPT
SCHEMBL1964514 0.83 ENPP2 (0.53) KMT2AMEN1JAK2TYK2HDAC8
SCHEMBL21105529 0.82 SMO (0.66) KMT2AMEN1JAK2TYK2MAPT
SCHEMBL3943366 0.82 TYK2 (0.51) KMT2AMEN1JAK2TYK2HDAC8
SCHEMBL21106289 0.82 JAK2 (0.48) KMT2AMEN1JAK2TYK2HDAC8
SCHEMBL1671892 0.82 SMN1; SMN2 (0.51) KMT2AMEN1HDAC8MAPTALDH1A1

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-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
EP-2491007-B1 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP disclosed
EP-2491007-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 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-20110263556-A1 New Compounds PTGES, PTGER1, PTGS1 KMT2A 2631/4885MEN1 4361/4885JAK2 3067/4885

“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.