SCHEMBL6538751

SCHEMBL6538751

Nc1nc(-c2ccccc2)c(-c2ccc(=O)n(CC(=O)N3CCOCC3)n2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
HSD17B10 Q99714 3/20 0.50
ALOX15 P16050 2/20 0.50
TP53 P04637 2/20 0.50
USP2 O75604 2/20 0.50
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 2/20 0.43
GRIN2B Q13224 1/20 0.42
HTT P42858 3/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL6538325 0.92 KDM4E (0.51) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6538893 0.91 KDM4E (0.50) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6538342 0.89 SMN1; SMN2 (0.50) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6539046 0.86 TP53 (0.45) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6538899 0.84 TP53 (0.43) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6539022 0.82 TP53 (0.42) TSHRKDM4EALDH1A1TP53HTT
SCHEMBL6538489 0.81 MEN1 (0.49) ALDH1A1SMN1; SMN2TP53POLBPTGS2
SCHEMBL6538523 0.79 TP53 (0.42) SMN1; SMN2TP53POLBHTTMAPT
SCHEMBL6539027 0.78 TP53 (0.49) TSHRKDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL6538395 0.78 TP53 (0.52) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10

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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof ADORA1, ADORA2A, P2RX5 TSHR 2491/4885KDM4E 3052/4885ALDH1A1 1399/4885

“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.