Sugi Predict

Sugi Predict / Compounds / SCHEMBL14028263

SCHEMBL14028263

SCHEMBL14028263

CCCCCc1ccc(-c2cnc(O)nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ STAT3 P40763 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ ESR1 P03372 2/20 0.55
▸ ADRA2A P08913 2/20 0.55
▸ ADORA3 P0DMS8 2/20 0.55
▸ TACR2 P21452 2/20 0.55
▸ SLC6A2 P23975 2/20 0.55
▸ SLC6A4 P31645 2/20 0.55
▸ SLC6A3 Q01959 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ SHBG P04278 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55

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
SCHEMBL7796929 0.84 RAB9A (0.64) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL8650839 0.83 MAPT (0.56) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL9226643 0.83 MAPT (0.56) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL6253487 0.83 RAB9A (0.67) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL7090931 0.83 RAB9A (0.67) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL7881232 0.83 RAB9A (0.67) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL9347743 0.83 RAB9A (0.67) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL9252387 0.83 RAB9A (0.67) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL7091535 0.83 RAB9A (0.67) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL9331469 0.83 MAPT (0.77) MAPTRAB9ASMN1; SMN2NPC1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 — — US disclosed
US-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery NEW YORK SOCIETY FOR THE RUPTURED AND CRIPPLED MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY (US) 2008-10-23 — — US disclosed
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2008-04-03 — — US disclosed
US-7268115-B2 Cyclic peptides; three-dimensional structures; screening; anticancer agents; angiogenesis inhibitors; drug delivery ADHEREX TECHNOLOGIES, INC. (CA) 2007-09-11 — — 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-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery BMP1, BMP2, BMP4 MAPT 1818/4885RAB9A 248/4885SMN1; SMN2 2848/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 MAPT 3140/4885RAB9A 2023/4885SMN1; SMN2 4365/4885

“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.