SCHEMBL4522816

SCHEMBL4522816

O=C(CCc1ccccc1)Nc1cccc2c(Br)cncc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 2/20 0.52
KDM6B O15054 2/20 0.52
KDM4D Q6B0I6 2/20 0.52
KDM4C Q9H3R0 2/20 0.52
EGLN3 Q9H6Z9 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TRPV1 Q8NER1 3/20 0.49
GAA P10253 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
RORC P51449 1/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
NPY5R Q15761 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
SCHEMBL13966175 0.85 POLB (0.62) RAB9ANPC1SMN1; SMN2POLBKDM6B
SCHEMBL4532149 0.81 RAB9A (0.51) RAB9ANPC1SMN1; SMN2POLBKDM6B
SCHEMBL5515068 0.76 RXFP1 (0.59) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL4526005 0.74 IDO1 (0.46) SMN1; SMN2POLBKDM6BKDM4DKDM4C
SCHEMBL13966186 0.72 POLB (0.61) RAB9ANPC1SMN1; SMN2POLBKDM6B
SCHEMBL15961580 0.72 MEN1 (0.52) RAB9ANPC1SMN1; SMN2POLBKDM6B
SCHEMBL8440269 0.69 POLB (0.80) RAB9ANPC1SMN1; SMN2POLBGAA
SCHEMBL10497116 0.69 HCAR2 (0.78) RAB9ANPC1SMN1; SMN2KDM6BKDM4D
SCHEMBL29844215 0.69 POLB (0.80) RAB9ANPC1SMN1; SMN2POLBGAA
SCHEMBL1521002 0.69 RAB9A (0.71) RAB9ANPC1SMN1; SMN2POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 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-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 RAB9A 4086/4885NPC1 3984/4885SMN1; SMN2 2906/4885

“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.