SCHEMBL6479262

SCHEMBL6479262

NC(=O)c1cc2cc(C(=O)O)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.53
CLK1 P49759 1/20 0.50
DYRK1A Q13627 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
PIM2 Q9P1W9 1/20 0.49
FLT3 P36888 2/20 0.47
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
TP53 P04637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.46
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
CSNK2A3 Q8NEV1 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL7410565 0.89 PIM1 (0.66) PIM1CLK1DYRK1ADYRK1BPIM2
SCHEMBL6480036 0.86 FLT3 (0.47) PIM1FLT3TP53NPC1RAB9A
SCHEMBL17182493 0.84 ALDH1A1 (0.56) PIM1CLK1DYRK1ADYRK1BFLT3
Isophthalic Acid SCHEMBL27887534 0.80 NPC1 (0.64) FLT3TP53NPC1RAB9ASMN1; SMN2
SCHEMBL28322521 0.80 PIM1 (0.46) PIM1CLK1DYRK1ADYRK1BPIM2
SCHEMBL8713204 0.79 TPSAB1 (0.62) PIM1PIM2TPSAB1TPSD1TPSG1
SCHEMBL29431747 0.78 FLT3 (0.76) PIM1CLK1DYRK1ADYRK1BFLT3
SCHEMBL10508628 0.78 FLT3 (0.76) PIM1CLK1DYRK1ADYRK1BFLT3
SCHEMBL6021894 0.78 FLT3 (0.76) PIM1CLK1DYRK1ADYRK1BPIM2
SCHEMBL21211394 0.78 CLK1 (0.57) PIM1CLK1DYRK1ADYRK1BPIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US disclosed
EP-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US disclosed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO 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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 PIM1 3689/4885CLK1 4842/4885DYRK1A 4120/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 PIM1 3689/4885CLK1 4842/4885DYRK1A 4120/4885

“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.