SCHEMBL1302829

SCHEMBL1302829

O=C(NCCO)Nc1nc2ccc(Br)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.64
NPC1 O15118 5/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
DYRK1A Q13627 1/20 0.64
ABL1 P00519 3/20 0.59
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.55
CLK1 P49759 2/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.52

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
SCHEMBL6068055 0.86 RAB9A (0.60) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1303393 0.86 RAB9A (0.69) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1302984 0.85 ABL1 (0.65) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL6068064 0.85 RAB9A (0.58) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL27566826 0.83 RAB9A (0.56) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL18541791 0.81 LCK (0.62) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2792307 0.81 NPC1 (0.78) RAB9ANPC1DYRK1AABL1GAA
SCHEMBL1783377 0.81 RAB9A (0.74) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL23900995 0.81 ABL1 (0.66) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL3860064 0.81 RAB9A (0.57) RAB9ANPC1CYP1A2CYP3A4CYP2C9

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
CN-119371372-A Bcr-Abl targeting molecular gel and preparation method and application thereof 中山大学 2025-01-28 CN disclosed
CN-119371651-A Preparation method and application of Bcr-Abl-targeted self-assembled nanomaterial 中山大学 2025-01-28 CN disclosed
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 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-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB RAB9A 2332/4885NPC1 1077/4885CYP1A2 3923/4885

“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.