SCHEMBL2821005

SCHEMBL2821005

O=C(CCCCCCl)c1ccc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.68
HDAC8 Q9BY41 7/20 0.68
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
HDAC3 O15379 4/20 0.58
HDAC4 P56524 4/20 0.58
HDAC7 Q8WUI4 4/20 0.58
HDAC2 Q92769 4/20 0.58
HDAC10 Q969S8 4/20 0.58
HDAC11 Q96DB2 4/20 0.58
HDAC6 Q9UBN7 4/20 0.58
HDAC9 Q9UKV0 4/20 0.58
HDAC5 Q9UQL6 4/20 0.58
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 1/20 0.56
PTPN1 P18031 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL1839883 0.98 HDAC1 (0.66) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL10971761 0.93 HDAC1 (0.63) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL11253655 0.86 SMN1; SMN2 (0.67) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL3381304 0.85 HDAC1 (0.70) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL3379543 0.85 HDAC1 (0.70) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL7387271 0.85 HDAC1 (0.70) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL3379592 0.85 HDAC1 (0.70) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL5286879 0.85 HDAC1 (0.70) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL12952426 0.84 HDAC1 (0.68) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL4953757 0.84 HDAC1 (0.68) HDAC1HDAC8SMN1; SMN2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099761-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-10-27 EP disclosed
US-20100063026-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES VILLAPHARMA RESEARCH S.L. (ES) 2010-03-11 US disclosed
CN-101547906-A Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2009-09-30 CN 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-20100063026-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 HDAC1 1035/4885HDAC8 3440/4885SMN1; SMN2 2488/4885

“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.