SCHEMBL3217427

SCHEMBL3217427

CCCCOC(=O)C=Cc1cc(OCc2ccc(OC)cc2)nn(Cc2ccc(OC)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 4/20 0.41
AKR1B1 P15121 4/20 0.41
HDAC8 Q9BY41 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APP P05067 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
TBXAS1 P24557 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL3217412 1.00 AKR1B10 (0.41) AKR1B10AKR1B1HDAC8LMNASMN1; SMN2
SCHEMBL2772203 0.86 HDAC8 (0.43) HDAC8LMNASMN1; SMN2HDAC3HDAC4
SCHEMBL2772199 0.86 HDAC8 (0.43) HDAC8LMNASMN1; SMN2HDAC3HDAC4
SCHEMBL3212785 0.84 CNR1 (0.43) AKR1B10AKR1B1HDAC8LMNASMN1; SMN2
SCHEMBL3212794 0.84 CNR1 (0.43) AKR1B10AKR1B1HDAC8LMNASMN1; SMN2
SCHEMBL3217432 0.80 PSEN1 (0.48)
SCHEMBL3217419 0.75 FAAH (0.38) LMNASMN1; SMN2MAPTCNR1CNR2
SCHEMBL2767672 0.72 CNR1 (0.47) LMNAMAPTCNR1CNR2
SCHEMBL1769268 0.69 ALDH1A1 (0.41) LMNASMN1; SMN2APPTDP1
SCHEMBL2767992 0.68 CNR1 (0.48) HDAC8LMNASMN1; SMN2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 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-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB AKR1B10 1538/4885AKR1B1 792/4885HDAC8 2890/4885

“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.