SCHEMBL1415514

SCHEMBL1415514

Cc1ccc(NC2=C(C(=O)O)CC(Nc3ccc(C)cc3)=C(C(=O)O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.46
▸ AKR1C2 P52895 2/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ NPC1 O15118 6/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL28825749 0.95 HPGD (0.55) AKR1C3AKR1C2SMN1; SMN2MEN1KMT2A
SCHEMBL3900458 0.87 CASP3 (0.52) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL1415624 0.82 CASP3 (0.45) AKR1C3AKR1C2SMN1; SMN2MEN1KMT2A
SCHEMBL1415828 0.82 TDP1 (0.48) AKR1C3AKR1C2SMN1; SMN2MEN1KMT2A
SCHEMBL1415410 0.81 AKR1C3 (0.45) AKR1C3AKR1C2SMN1; SMN2MEN1KMT2A
SCHEMBL1415827 0.81 AKR1C3 (0.45) AKR1C3AKR1C2SMN1; SMN2MEN1KMT2A
SCHEMBL1415497 0.81 DHODH (0.44) MEN1KMT2AHPGDNPC1MAPT
SCHEMBL1416251 0.81 SMN1; SMN2 (0.54) AKR1C3AKR1C2SMN1; SMN2MEN1KMT2A
SCHEMBL12392802 0.77 ACHE (0.43) AKR1C3AKR1C2SMN1; SMN2MEN1KMT2A
SCHEMBL7621011 0.76 MAPT (0.49) AKR1C3AKR1C2SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1031615-B1 Aqueous process for the preparation of linear quinacridones having a reduced particle size CIBA SC HOLDING AG (CH) 2003-07-23 — — EP claimed
EP-1031615-A2 Aqueous process for the preparation of linear quinacridones having a reduced particle size Ciba SC Holding AG (CH) 2000-08-30 — — EP claimed
EP-1399742-B1 QUINACRIDONE LABELLING REAGENTS FOR FLUORESCENCE DETECTION OF BIOLOGICAL MATERIALS GE HEALTHCARE UK LTD (GB) 2011-03-16 — — EP disclosed
US-7335771-B2 Quinacridone derivatives as labelling reagents for fluorescence detection of biological materials GE HEALTHCARE UK LIMITED (GB) 2008-02-26 — — US disclosed
US-20040171014-A1 Quinacridone derivatives as labelling reagents for flurescence detection of bilogical materials TTP LABTECH LIMITED (GB) 2004-09-02 — — US disclosed
EP-1399742-A2 QUINACRIDONE LABELLING REAGENTS FOR FLUORESCENCE DETECTION OF BIOLOGICAL MATERIALS Amersham Biosciences UK Limited (GB) 2004-03-24 — — EP disclosed
EP-1031615-B1 Aqueous process for the preparation of linear quinacridones having a reduced particle size CIBA SC HOLDING AG (CH) 2003-07-23 — — EP disclosed
WO-2002099432-A2 QUINACRIDONE LABELLING REAGENTS FOR FLUORESCENCE DETECTION OF BIOLOGICAL MATERIALS AMERSHAM BIOSCIENCES UK LIMITED (GB) 2002-12-12 — — WO disclosed
EP-1031615-A2 Aqueous process for the preparation of linear quinacridones having a reduced particle size Ciba SC Holding AG (CH) 2000-08-30 — — EP 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-20040171014-A1 Quinacridone derivatives as labelling reagents for flurescence detection of bilogical materials Q6ZSR9, MPHOSPH6, NQO2 AKR1C3 1652/4885AKR1C2 2174/4885SMN1; SMN2 4779/4885

“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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