SCHEMBL146153

SCHEMBL146153

COc1cc(C2=NN(C(=O)c3ccc(NC(=O)c4cccnc4)cc3)CCC2)ccc1S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.45
ABCB1 P08183 1/20 0.45
ALDH1A1 P00352 5/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 4/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.40
PGR P06401 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCNC P24863 1/20 0.40

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
SCHEMBL6601093 0.90 ALDH1A1 (0.45) ALDH1A1POLBLMNAMAPTHTT
SCHEMBL147544 0.90 LMNA (0.51) ABCG2ABCB1ALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL7650133 0.90 LMNA (0.50) ABCG2ABCB1ALDH1A1POLBLMNA
SCHEMBL6601996 0.89 ABCG2 (0.48) ABCG2ABCB1ALDH1A1LMNAMAPT
SCHEMBL6603519 0.88 MEN1 (0.45) ABCG2ALDH1A1POLBLMNAMAPT
SCHEMBL6600023 0.88 ALDH1A1 (0.46) ALDH1A1POLBLMNAMAPTSMN1; SMN2
SCHEMBL6602252 0.87 ALDH1A1 (0.47) ALDH1A1POLBLMNAMAPTSMN1; SMN2
SCHEMBL6605929 0.86 ALDH1A1 (0.48) ALDH1A1POLBLMNAMAPTSMN1; SMN2
SCHEMBL6602474 0.86 ALDH1A1 (0.48) ALDH1A1POLBLMNAMAPTSMN1; SMN2
SCHEMBL6603562 0.86 ALDH1A1 (0.42) ALDH1A1POLBLMNAMAPTSMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases MERK PANTENT GMBH (DE) 2005-03-31 US claimed
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof MERCK PATENT GMBH (DE) 2004-12-23 US claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 WO disclosed
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases MERK PANTENT GMBH (DE) 2005-03-31 US disclosed
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof MERCK PATENT GMBH (DE) 2004-12-23 US disclosed
EP-1463509-A1 TYPE 4 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF MERCK PATENT GmbH (DE) 2004-10-06 EP disclosed
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP disclosed
WO-2003037349-A1 TYPE 4 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2003-05-08 WO disclosed
US-6479494-B1 THEY INHIBIT SELECTIVELY PHOSPHODIESTERASE IV, WHICH CAUSES AN INCREASE OF THE INTRACELLULAR CAMP LEVEL AS CAMP INHIBITS BONE DECREASING CELLS AND STIMULATES BONE INCREASING CELLS FOR TREATMENT OF OSTEOPOROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-11-12 US disclosed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 US 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 (4 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-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 ABCG2 4770/4885ABCB1 4804/4885ALDH1A1 1103/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 ABCG2 4770/4885ABCB1 4804/4885ALDH1A1 1103/4885
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases PDE4A, PDE4B, PDE12 ABCG2 2694/4885ABCB1 1476/4885ALDH1A1 849/4885
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof PDE4A, PDE4B, PDE4C ABCG2 1594/4885ABCB1 1138/4885ALDH1A1 762/4885

“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.