SCHEMBL5774548

SCHEMBL5774548

O=CN(c1ccccc1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
NSD2 O96028 1/20 0.38

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
SCHEMBL27885327 0.87 ALDH1A1 (0.33) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL28367073 0.86 KMT2A (0.49) ALDH1A1KMT2ALMNARAB9AKDM4E
SCHEMBL9435372 0.83 ALDH1A1 (0.38) ALDH1A1KMT2ALMNAMAPTTDP1
SCHEMBL21402730 0.83 SMN1; SMN2 (0.33) ALDH1A1KMT2AMAPTTDP1RAB9A
SCHEMBL28367102 0.83 CYP1A2 (0.40) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL28363516 0.83 SMN1; SMN2 (0.40) ALDH1A1KMT2AMAPTKDM4ENPC1
SCHEMBL6870782 0.82 LMNA (0.41) ALDH1A1KMT2ALMNAMAPTTDP1
SCHEMBL27266272 0.81 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAMAPTTDP1
SCHEMBL28367071 0.79 AKR1C3 (0.43) ALDH1A1LMNAKDM4EPOLBAKR1C3
SCHEMBL27735180 0.79 SIGMAR1 (0.41) ALDH1A1KMT2APOLBMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3861976-B1 DENTAL MATERIALS BASED ON CYCLOPOLYMERISABLE CROSS-LINKING AGENTS IVOCLAR VIVADENT AG (LI) 2022-03-30 EP disclosed
EP-3861976-A1 DENTAL MATERIALS BASED ON CYCLOPOLYMERISABLE CROSS-LINKING AGENTS Ivoclar Vivadent AG (LI) 2021-08-11 EP disclosed
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
EP-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 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 (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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR ALDH1A1 1045/4885KMT2A 3907/4885LMNA 2770/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ALDH1A1 682/4885KMT2A 2906/4885LMNA 2605/4885

“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.