SCHEMBL10035773

SCHEMBL10035773

CC(C)NCCCN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.50
CHRM5 P08912 2/20 0.43
CHRM3 P20309 2/20 0.43
RAD52 P43351 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.38
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL25453564 0.89 CXCR4 (0.39) CXCR4CHRM5CHRM3RAD52HSD17B10
SCHEMBL13185218 0.88 RAD52 (0.50) CXCR4CHRM5CHRM3RAD52HSD17B10
SCHEMBL28984365 0.86 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2TP53
SCHEMBL21730543 0.84 MEN1 (0.43) CXCR4CHRM5CHRM3RAD52HSD17B10
SCHEMBL8258583 0.84 CARM1 (0.48) MEN1KMT2ASMN1; SMN2TP53
SCHEMBL18286784 0.84 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2TP53
SCHEMBL12309176 0.82 HRH3 (0.52) MEN1KMT2ASMN1; SMN2TP53
SCHEMBL18568453 0.82 HRH3 (0.52) MEN1KMT2ASMN1; SMN2TP53
SCHEMBL26398697 0.81 ANPEP (0.45) CXCR4CHRM5CHRM3RAD52HSD17B10
SCHEMBL7757512 0.81 CXCR4 (0.40) CXCR4CHRM5CHRM3RAD52HSD17B10

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260103448-A1 ACID GAS ABSORBENT, METHOD FOR REMOVING ACID GAS, AND ACID GAS REMOVAL APPARATUS KABUSHIKI KAISHA TOSHIBA (JP) 2026-04-16 US disclosed
EP-4725587-A1 ACID GAS ABSORBENT, METHOD FOR REMOVING ACID GAS, AND ACID GAS REMOVAL APPARATUS Kabushiki Kaisha Toshiba (JP) 2026-04-15 EP disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2019-09-12 US disclosed
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2019-07-02 US disclosed
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2018-06-28 US disclosed
US-8058275-B2 Diazabenzo[de] anthracen-3-one compounds and methods for inhibiting PARP EISAI INC. (US) 2011-11-15 US disclosed
US-8058275-B2 Diazabenzo[de] anthracen-3-one compounds and methods for inhibiting PARP EISAI INC. (US) 2011-11-15 US disclosed
EP-2319847-A2 Diazabenzo[de]anthracen-3-one compounds and methods for inhibiting PARP Eisai Inc. (US) 2011-05-11 EP disclosed
US-20110092478-A1 DIAZABENZO[DE] ANTHRACEN-3-ONE COMPOUNDS AND METHODS FOR INHIBITING PARP EISAI INC. (US) 2011-04-21 US disclosed
US-20110092478-A1 DIAZABENZO[DE] ANTHRACEN-3-ONE COMPOUNDS AND METHODS FOR INHIBITING PARP EISAI INC. (US) 2011-04-21 US disclosed
US-7820668-B2 Diazabenzo[de]anthracen-3-one compounds and methods for inhibiting PARP EISAI INC. (US) 2010-10-26 US disclosed
US-7820668-B2 Diazabenzo[de]anthracen-3-one compounds and methods for inhibiting PARP EISAI INC. (US) 2010-10-26 US disclosed
US-7498405-B2 Halogen-substituted thienyl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
US-20090028815-A1 Diazabenzo[De]anthracen-3-one Compounds and Methods for Inhibiting Parp MGI GP, INC. (US) 2009-01-29 US disclosed
US-20090028815-A1 Diazabenzo[De]anthracen-3-one Compounds and Methods for Inhibiting Parp MGI GP, INC. (US) 2009-01-29 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 (9 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-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R CXCR4 181/4885CHRM5 4331/4885CHRM3 4163/4885
US-20260103448-A1 ACID GAS ABSORBENT, METHOD FOR REMOVING ACID GAS, AND ACID GAS REMOVAL APPARATUS SLC9A2, SLCO2A1, SLCO2B1 CXCR4 2893/4885CHRM5 109/4885CHRM3 154/4885
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF TYR, TYRO3, TH CXCR4 153/4885CHRM5 1946/4885CHRM3 2895/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R CXCR4 181/4885CHRM5 4331/4885CHRM3 4163/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R CXCR4 181/4885CHRM5 4331/4885CHRM3 4163/4885
US-20090028815-A1 Diazabenzo[De]anthracen-3-one Compounds and Methods for Inhibiting Parp PARP1, PARP2, PARP3 CXCR4 3184/4885CHRM5 4857/4885CHRM3 4472/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R CXCR4 181/4885CHRM5 4331/4885CHRM3 4163/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 CXCR4 481/4885CHRM5 3765/4885CHRM3 4005/4885
US-20110092478-A1 DIAZABENZO[DE] ANTHRACEN-3-ONE COMPOUNDS AND METHODS FOR INHIBITING PARP PARP1, PARP2, PARP3 CXCR4 3184/4885CHRM5 4857/4885CHRM3 4472/4885

“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.