SCHEMBL4958588

SCHEMBL4958588

CCOC(=O)c1ccc2c(cnn2CCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.47
APOBEC3A P31941 2/20 0.47
EIF4H Q15056 2/20 0.47
APOBEC3G Q9HC16 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 7/20 0.44
NPSR1 Q6W5P4 4/20 0.44
TSHR P16473 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 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
SIRT2 Q8IXJ6 1/20 0.44

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
SCHEMBL4957912 0.81 HTR2A (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL904672 0.80 MAPT (0.48) MEN1KMT2AALDH1A1NPSR1SIRT2
SCHEMBL4959328 0.80 MAOA (0.43) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL7425784 0.80 KMO (0.60) MAPK1MEN1KMT2AALDH1A1SIRT2
SCHEMBL7427872 0.79 KMO (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL8684617 0.79 MAOA (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL8683583 0.78 MAOA (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL7653557 0.78 MAOA (0.47) MAPK1MEN1KMT2AGAAALDH1A1
SCHEMBL8687401 0.78 CYP1A2 (0.50) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL3436319 0.76 CCNC (0.49) MEN1KMT2AALDH1A1SIRT2SIRT1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332149-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-02-19 US disclosed
US-7332149-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-02-19 US disclosed
US-7332149-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-02-19 US disclosed
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 US disclosed
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 US disclosed
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 US disclosed
EP-1140203-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-05-23 EP disclosed
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-07-14 US disclosed
US-6838074-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-04 US disclosed
US-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT LANTHEUS MEDICAL IMAGING, INC. 2004-10-21 US disclosed
US-6794518-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-21 US disclosed
EP-1296678-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP disclosed
WO-2001098294-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed
EP-1140203-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035488-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 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-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT TNNI3, ASGR1, TNNT2 PABPC1 2082/4885APOBEC3A 3945/4885EIF4H 4826/4885
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 PABPC1 2776/4885APOBEC3A 4763/4885EIF4H 4787/4885

“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.