SCHEMBL416396

SCHEMBL416396

CCCCOc1ccc(-c2nnc(C)[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 3/20 0.57
HPGD P15428 2/20 0.57
POLB P06746 1/20 0.57
CYP2C9 P11712 10/20 0.56
CYP2C19 P33261 10/20 0.56
CYP19A1 P11511 10/20 0.56
CYP2D6 P10635 9/20 0.56
CYP1A2 P05177 8/20 0.56
CYP3A4 P08684 7/20 0.56
ALDH1A1 P00352 2/20 0.50
ALOX12 P18054 1/20 0.50
NPC1 O15118 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL11937116 0.84 CYP3A4 (0.56) RAB9ASMN1; SMN2LMNAHPGDPOLB
SCHEMBL14424586 0.83 CYP2D6 (0.55) RAB9ASMN1; SMN2LMNAHPGDPOLB
SCHEMBL418165 0.78 KDM4E (0.51) RAB9ASMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL416455 0.77 HSD11B1 (0.51) RAB9ASMN1; SMN2LMNAHPGDCYP3A4
SCHEMBL6954855 0.74 CYP2D6 (0.56) RAB9ASMN1; SMN2LMNAHPGDPOLB
SCHEMBL30311943 0.74 CYP2D6 (0.60) RAB9ASMN1; SMN2LMNAHPGDPOLB
SCHEMBL9151170 0.74 CYP2D6 (0.76) RAB9ASMN1; SMN2CYP2C9CYP2C19CYP19A1
SCHEMBL5583851 0.74 CYP2D6 (0.76) RAB9ASMN1; SMN2CYP2C9CYP2C19CYP19A1
SCHEMBL417139 0.73 NISCH (0.45) RAB9ASMN1; SMN2LMNAHPGDPOLB
SCHEMBL4723390 0.72 CYP2D6 (1.00) RAB9ASMN1; SMN2LMNAHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US claimed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US claimed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 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 (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-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 RAB9A 100/4885SMN1; SMN2 4029/4885LMNA 1422/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 RAB9A 100/4885SMN1; SMN2 4029/4885LMNA 1422/4885

“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.