SCHEMBL76032

SCHEMBL76032

Cc1cc(N2CCCCC2=O)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.57
HSD17B10 Q99714 1/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 2/20 0.45
RAD52 P43351 1/20 0.45
PKM P14618 3/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AKR1C3 P42330 2/20 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
SCHEMBL7548885 0.95 HSD17B10 (0.59) BRD9HSD17B10LMNAALDH1A1KMT2A
Sulfuric Acid SCHEMBL8372990 0.88 LMNA (0.59) BRD9HSD17B10LMNAALDH1A1KMT2A
SCHEMBL25669158 0.87 BRD9 (0.59) BRD9HSD17B10LMNAALDH1A1KMT2A
SCHEMBL6028329 0.82 HSD17B10 (0.59) BRD9HSD17B10LMNAALDH1A1KMT2A
SCHEMBL30104761 0.82 HSD17B10 (0.59) BRD9HSD17B10LMNAALDH1A1KMT2A
SCHEMBL12051770 0.81 PKM (0.60) BRD9HSD17B10LMNAALDH1A1KMT2A
SCHEMBL5830502 0.81 BRD9 (0.51) BRD9LMNAALDH1A1KMT2AKDM4E
SCHEMBL6982671 0.81 BRD9 (0.47) BRD9HSD17B10LMNAALDH1A1KMT2A
SCHEMBL30731240 0.81 LMNA (0.57) BRD9HSD17B10LMNAALDH1A1KMT2A
SCHEMBL77996 0.81 BRD9 (0.47) BRD9LMNAALDH1A1TSHRSMN1; SMN2

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO disclosed
US-20040082563-A1 Phenyl derivatives 3 MERCK PATENT GMBH (DE) 2004-04-29 US disclosed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 EP disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 WO disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 (3 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX BRD9 2697/4885HSD17B10 1259/4885LMNA 918/4885
US-20040082563-A1 Phenyl derivatives 3 F2, F11, F12 BRD9 3229/4885HSD17B10 2397/4885LMNA 910/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 BRD9 3345/4885HSD17B10 1952/4885LMNA 2132/4885

“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.