SCHEMBL975217

SCHEMBL975217

CC(=O)Nc1ccc2cc(C=O)cnc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
GLA P06280 1/20 0.60
TNNI3 P19429 1/20 0.60
TNNT2 P45379 1/20 0.60
TNNC1 P63316 1/20 0.60
RUNX1 Q01196 1/20 0.60
CBFB Q13951 1/20 0.60
PABPC1 P11940 1/20 0.50
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
STAT1 P42224 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL12948580 0.81 NPC1 (0.66) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL5649400 0.80 KDM4E (0.60) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL20741514 0.79 KDM4E (0.64) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL20474248 0.79 MAPT (0.59) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL5646415 0.79 KDM4E (0.59) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL17967325 0.78 KDM4E (0.62) KDM4ENPC1RAB9AMAPTMEN1
Hydrochloric Acid SCHEMBL5647115 0.78 KDM4E (0.57) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL5645535 0.77 KDM4E (0.56) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL3584316 0.76 MGLL (0.51) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL18075701 0.76 KDM4E (1.00) KDM4ENPC1RAB9AMAPTMEN1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2258676-B1 STABLE VINAMIDINIUM SALT AND NITROGEN-CONTAINING HETEROCYCLIC RING SYNTHESIS USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2016-02-17 EP disclosed
EP-2258676-B1 STABLE VINAMIDINIUM SALT AND NITROGEN-CONTAINING HETEROCYCLIC RING SYNTHESIS USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2016-02-17 EP disclosed
US-8373007-B2 Stable vinamidinium salt and nitrogen-containing heterocyclic ring synthesis using the same TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2013-02-12 US disclosed
US-8373007-B2 Stable vinamidinium salt and nitrogen-containing heterocyclic ring synthesis using the same TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2013-02-12 US disclosed
US-8373007-B2 Stable vinamidinium salt and nitrogen-containing heterocyclic ring synthesis using the same TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2013-02-12 US disclosed
US-20110015399-A1 STABLE VINAMIDINIUM SALT AND NITROGEN-CONTAINING HETEROCYCLIC RING SYNTHESIS USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2011-01-20 US disclosed
US-20110015399-A1 STABLE VINAMIDINIUM SALT AND NITROGEN-CONTAINING HETEROCYCLIC RING SYNTHESIS USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2011-01-20 US disclosed
EP-2258676-A1 STABLE VINAMIDINIUM SALT AND NITROGEN-CONTAINING HETEROCYCLIC RING SYNTHESIS USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-12-08 EP disclosed
EP-2258676-A1 STABLE VINAMIDINIUM SALT AND NITROGEN-CONTAINING HETEROCYCLIC RING SYNTHESIS USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-12-08 EP disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 EP 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-20110015399-A1 STABLE VINAMIDINIUM SALT AND NITROGEN-CONTAINING HETEROCYCLIC RING SYNTHESIS USING THE SAME VRK2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NPM1 KDM4E 1935/4885NPC1 3869/4885RAB9A 901/4885
US-20050209213-A1 Quinoline compound MC1R, MC2R, TYR KDM4E 2112/4885NPC1 1091/4885RAB9A 1128/4885

“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.