SCHEMBL3147801

SCHEMBL3147801

CCCc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(CCC)c1OC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
MAPT P10636 1/20 0.32
KCNN4 O15554 1/20 0.30
BCL2L2 Q92843 1/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL3148070 0.66 ALDH1A1 (0.41) ALDH1A1
SCHEMBL17108578 0.65 MAPK1 (0.36) ALDH1A1MAPK1
SCHEMBL17108577 0.65 MAPK1 (0.36) ALDH1A1MAPK1MAPT
SCHEMBL28999271 0.61 CYP11B1 (0.38) ALDH1A1MAPK1ACSS2MAPTKCNN4
SCHEMBL927921 0.60 PDE5A (0.33) ALDH1A1MAPK1MAPT
SCHEMBL28789599 0.60 MAPK1 (0.47) ALDH1A1MAPK1
SCHEMBL28999325 0.60 CASR (0.33) MAPK1ACSS2
SCHEMBL3152762 0.59 TSHR (0.39) ALDH1A1MAPT
SCHEMBL23399274 0.58 KMT2A (0.42) ALDH1A1
SCHEMBL3144333 0.58 POLB (0.35) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099452-B1 TRICARBONYL COMPLEXES WITH TRIDENTATE CHELATORS FOR MYOCARDIUM IMAGING MALLINCKRODT LLC (US) 2015-07-22 EP disclosed
US-9023315-B2 Tricarbonyl complexes with tridentate chelators for myocardium imaging MALLINCKRODT LLC (US) 2015-05-05 US disclosed
US-8940273-B2 Tricarbonyl complexes with tridentate chelators for myocardium imaging MALLINCKRODT LLC (US) 2015-01-27 US disclosed
US-20130131327-A1 Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging MALLINCKRODT LLC (US) 2013-05-23 US disclosed
US-20130129620-A1 Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging MALLINCKRODT LLC (US) 2013-05-23 US disclosed
US-8372379-B2 Technetium-99m (I) tricarbonyl complexes with tridentate chelators for myocardium imaging MALLINCKRODT LLC (US) 2013-02-12 US disclosed
US-20100074842-A1 Technetium-99m (I) Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging LIEBEL-FLARSHEIM COMPANY LLC 2010-03-25 US disclosed
EP-2099452-A2 TRICARBONYL COMPLEXES WITH TRIDENTATE CHELATORS FOR MYOCARDIUM IMAGING Mallinckrodt Inc. (US) 2009-09-16 EP disclosed
WO-2008061792-A2 TRICARBONYL COMPLEXES WITH TRIDENTATE CHELATORS FOR MYOCARDIUM IMAGING MALLINCKRODT INC. (US) 2008-05-29 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-20130131327-A1 Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging TNNT2, TNNI3, FABP3 ALDH1A1 3518/4885MAPK1 4727/4885ACSS2 490/4885
US-20100074842-A1 Technetium-99m (I) Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging TNNT2, TNNI3, FABP3 ALDH1A1 3726/4885MAPK1 4674/4885ACSS2 941/4885
US-20130129620-A1 Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging TNNT2, TNNI3, FABP3 ALDH1A1 3518/4885MAPK1 4727/4885ACSS2 490/4885

“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.