SCHEMBL8199577

SCHEMBL8199577

CCOC(=O)c1nc2cc3ccccc3cc2c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
KDM4E B2RXH2 8/20 0.57
HPGD P15428 7/20 0.57
GAA P10253 4/20 0.57
RAB9A P51151 4/20 0.57
MAPT P10636 3/20 0.57
NPC1 O15118 2/20 0.57
GLA P06280 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
USP2 O75604 1/20 0.57
HSD17B10 Q99714 2/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
APAF1 O14727 1/20 0.47
CDC25B P30305 1/20 0.47
CASP3 P42574 1/20 0.47
CASP6 P55212 1/20 0.47
SENP8 Q96LD8 1/20 0.47

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
SCHEMBL30782682 0.85 BRD4 (0.55) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL689576 0.85 BRD4 (0.55) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL11547661 0.84 RAB9A (0.46) ALDH1A1KDM4EHPGDGAARAB9A
SCHEMBL11650671 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAARAB9A
SCHEMBL13343548 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAARAB9A
SCHEMBL8187500 0.83 KDM4E (0.49) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL689369 0.83 KDM4E (0.55) ALDH1A1KDM4EHPGDGAARAB9A
SCHEMBL166851 0.82 MMP13 (0.58) ALDH1A1KDM4EHPGDGAARAB9A
SCHEMBL689328 0.82 KDM4E (0.61) ALDH1A1KDM4EHPGDGAARAB9A
SCHEMBL13343442 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDGAAMAPT

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-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
WO-2008063667-A1 HETEROTRICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
US-4134981-A ANTIALLERGENS PFIZER INC. (US) 1979-01-16 US disclosed
US-4120962-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1978-10-17 US disclosed
US-4044134-A FUSED WITH QUINOLINE OR PYRIDINE, 2-METHYL, ETHYL, OR ACETYL GROUP PFIZER INC. (US) 1977-08-23 US disclosed
US-3974161-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1976-08-10 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 (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-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 ALDH1A1 1908/4885KDM4E 1443/4885HPGD 303/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 ALDH1A1 1908/4885KDM4E 1443/4885HPGD 303/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 ALDH1A1 1908/4885KDM4E 1443/4885HPGD 303/4885

“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.