SCHEMBL2162373

SCHEMBL2162373

O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 1.00
TDP1 Q9NUW8 5/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
HPGD P15428 3/20 1.00
CYP1A2 P05177 1/20 1.00
POLB P06746 1/20 1.00
HSP90AA1 P07900 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
CCR6 P51684 1/20 1.00
KDM4E B2RXH2 8/20 0.77
LMNA P02545 4/20 0.77
MAPT P10636 4/20 0.63
ALDH1A1 P00352 3/20 0.63
NR4A2 P43354 2/20 0.63
RECQL P46063 1/20 0.61
ADCY1 Q08828 4/20 0.58
ADCY8 P40145 2/20 0.58

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
SCHEMBL12768294 0.87 KDM4E (1.00) HTTTDP1SMN1; SMN2HPGDCYP1A2
SCHEMBL4740831 0.76 SMN1; SMN2 (0.62) HTTTDP1SMN1; SMN2HPGDCYP1A2
SCHEMBL20598356 0.74 ADCY1 (1.00) HTTTDP1SMN1; SMN2CCR6KDM4E
SCHEMBL1387329 0.73 KDM4E (0.65) HTTTDP1SMN1; SMN2HPGDCYP1A2
SCHEMBL15774288 0.73 KDM4E (0.57) HTTTDP1SMN1; SMN2HPGDCYP1A2
SCHEMBL330637 0.72 LMNA (0.56) HTTTDP1SMN1; SMN2HPGDCYP1A2
SCHEMBL8722458 0.72 KDM4E (0.64) HTTTDP1SMN1; SMN2HPGDCYP1A2
SCHEMBL4737640 0.71 KDM4E (0.63) HTTTDP1SMN1; SMN2HPGDCYP1A2
SCHEMBL7695319 0.71 MAPT (0.57) HTTTDP1SMN1; SMN2HPGDCYP1A2
SCHEMBL20598390 0.70 ADCY1 (1.00) HTTTDP1SMN1; SMN2POLBCCR6

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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS Zacharon Pharmaceutical, Inc. (US) 2012-11-22 US disclosed
WO-2011082175-A2 GLYCOSAMINOGLYCAN INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2011-07-07 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 (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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS CSGALNACT1, FUT5, ST3GAL3 HTT 2106/4885TDP1 3893/4885SMN1; SMN2 4368/4885

“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.