SCHEMBL3386646

SCHEMBL3386646

Nc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
PARP1 P09874 5/20 0.64
AR P10275 5/20 0.61
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ENPP1 P22413 3/20 0.54
PRMT5 O14744 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL19748763 0.84 LMNA (0.67) LMNAPARP1ARCYP3A4CYP2C9
SCHEMBL3386671 0.84 PARP1 (0.72) LMNAPARP1ARCYP3A4CYP2C9
SCHEMBL29655067 0.84 LMNA (0.67) LMNAPARP1ARCYP3A4CYP2C9
SCHEMBL19748315 0.84 LMNA (0.56) LMNAPARP1ARCYP3A4CYP2C9
SCHEMBL14607227 0.82 AR (0.60) LMNAPARP1ARCYP3A4CYP2C9
SCHEMBL29483969 0.82 PARP1 (0.72) LMNAPARP1ARCYP3A4CYP2C9
SCHEMBL28729869 0.82 PARP1 (0.72) LMNAPARP1ARCYP3A4CYP2C9
SCHEMBL3386656 0.81 CYP3A4 (0.80) LMNAPARP1ARCYP3A4CYP2C9
SCHEMBL19748213 0.81 LMNA (0.58) LMNAPARP1ARCYP3A4CYP2C9
SCHEMBL12955341 0.80 AR (0.77) LMNAPARP1ARCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9803180-B2 S-adenosylmethionine (SAM) synthase variants for the synthesis of artificial cofactors Leibniz-Institut für Pflanzenbiochemie Stiftung des öffentlichen Rechts (DE) 2017-10-31 US disclosed
US-20170240870-A9 S-ADENOSYLMETHIONINE (SAM) SYNTHASE VARIANTS FOR THE SYNTHESIS OF ARTIFICIAL COFACTORS Leibniz-Institut für Pflanzenbiochemie Stiftung des öffentlichen Rechts (DE) 2017-08-24 US disclosed
EP-3066197-B1 S-ADENOSYLMETHIONINE (SAM) SYNTHASE VARIANTS FOR THE SYNTHESIS OF ARTIFICIAL COFACTORS LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2017-08-16 EP disclosed
US-20160264946-A1 S-ADENOSYLMETHIONINE (SAM) SYNTHASE VARIANTS FOR THE SYNTHESIS OF ARTIFICIAL COFACTORS LEIBNIZ-INSTITUT FÜR PFLANZEN-BIOCHEMIE STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2016-09-15 US disclosed
EP-3066197-A1 S-ADENOSYLMETHIONINE (SAM) SYNTHASE VARIANTS FOR THE SYNTHESIS OF ARTIFICIAL COFACTORS Leibniz-Institut Für Pflanzenbiochemie Stiftung Des Offentlichen Rechts (DE) 2016-09-14 EP disclosed
WO-2015067331-A1 S-ADENOSYLMETHIONINE (SAM) SYNTHASE VARIANTS FOR THE SYNTHESIS OF ARTIFICIAL COFACTORS Leibniz-Institut für Pflanzenbiochemie Stiftung des öffentlichen Rechts (DE) 2015-05-14 WO disclosed
EP-1725668-B1 GENETICALLY MODIFIED PLANTS AND THEIR APPLICATIONS IN PHYTOREMEDIATION. COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-12-15 EP disclosed
EP-1501822-B1 PHTHALAZINONE DERIVATIVES KUDOS PHARM LTD (GB) 2010-12-15 EP disclosed
EP-1501822-B1 PHTHALAZINONE DERIVATIVES KUDOS PHARM LTD (GB) 2010-12-15 EP disclosed
US-20090155911-A1 Genetically modified plants and their applications in phytoremediation COMMISSIARIAT A L'ENERGIE ATOMIQUE (FR) 2009-06-18 US disclosed
US-7196085-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2007-03-27 US disclosed
US-7196085-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2007-03-27 US disclosed
US-7196085-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2007-03-27 US disclosed
EP-1725668-A1 GENETICALLY MODIFIED PLANTS AND THEIR APPLICATIONS IN PHYTOREMEDIATION. COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2006-11-29 EP disclosed
WO-2005093078-A1 GENETICALLY MODIFIED PLANTS AND THEIR APPLICATIONS IN PHYTOREMEDIATION. COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-10-06 WO disclosed
WO-2005090583-A1 GENETICALLY MODIFIED PLANTS AND THEIR APPLICATIONS IN PHYTOREMEDIATION. COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-09-29 WO disclosed
US-20040023968-A1 Phthalazinone derivatives, and their use as pharmaceuticals. In particular, the present as enzyme inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2004-02-05 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 (1 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-20040023968-A1 Phthalazinone derivatives, and their use as pharmaceuticals. In particular, the present as enzyme inhibitors PARP1, PARP2, PARP15 LMNA 233/4885PARP1 1/4885AR 758/4885

“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.