SCHEMBL14028260

SCHEMBL14028260

O=C(NCc1ccccn1)c1csc(-c2ccc3nonc3c2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPC1 O15118 4/20 0.52
▸ ADORA2A P29274 3/20 0.48
▸ ADORA1 P30542 3/20 0.48
▸ TLR7 Q9NYK1 10/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL18997378 0.81 TLR7 (0.72) RAB9ATLR7ALDH1A1HPGDLMNA
SCHEMBL18997390 0.78 TLR7 (0.72) RAB9ASMN1; SMN2KMT2ANPC1ADORA2A
SCHEMBL4767995 0.75 ALDH1A1 (0.56) ALDH1A1
SCHEMBL14028264 0.73 HDAC1 (0.41) SMN1; SMN2KMT2ATLR7ALDH1A1HPGD
SCHEMBL8722201 0.72 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2MAPK1KMT2ANPC1
SCHEMBL24499085 0.71 HPGD (0.53) RAB9ASMN1; SMN2MAPK1KMT2ANPC1
SCHEMBL18781728 0.70 SLC40A1 (0.60) RAB9ASMN1; SMN2MAPK1KMT2ANPC1
SCHEMBL29505832 0.70 SLC40A1 (0.51) RAB9ANPC1TLR7CYP1A2CYP3A4
SCHEMBL28721377 0.70 SLC40A1 (0.51) RAB9ANPC1TLR7CYP1A2CYP3A4
SCHEMBL14368134 0.70 HPGD (0.54) RAB9ASMN1; SMN2NPC1TLR7ALDH1A1

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 3 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-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 (1 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-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 RAB9A 2023/4885SMN1; SMN2 4365/4885MAPK1 2488/4885

“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.

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