SCHEMBL13616567

SCHEMBL13616567

C/C=N/N1CCN(Cc2ccc(-c3ccc(C)cc3)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.49
TDP1 Q9NUW8 7/20 0.49
GAA P10253 3/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 6/20 0.45
ALDH1A1 P00352 4/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
THRB P10828 2/20 0.40
GFER P55789 1/20 0.39

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
SCHEMBL13616490 0.89 ALDH1A1 (0.44) MAPK1TDP1GAAHTTL3MBTL1
SCHEMBL13616489 0.88 L3MBTL1 (0.47) MAPK1TDP1GAAHTTL3MBTL1
SCHEMBL28321103 0.81 KDM4E (0.56) TDP1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL13616566 0.74 SMN1; SMN2 (0.52) MAPK1TDP1GAAHTTL3MBTL1
SCHEMBL11625572 0.73 HTR7 (0.59) TDP1GAAHTTALDH1A1POLB
SCHEMBL13616568 0.72 MAPK1 (0.43) MAPK1TDP1GAAHTTL3MBTL1
SCHEMBL13616475 0.72 HDAC3 (0.43) MAPK1TDP1GAAHTTL3MBTL1
SCHEMBL398552 0.68 KDM4E (0.58) TDP1KDM4E
SCHEMBL13616564 0.68 DRD2 (0.44)
SCHEMBL3033987 0.68 S1PR1 (0.63)

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-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 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-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, ABCC1, HDAC6 MAPK1 3153/4885TDP1 4725/4885GAA 245/4885

“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.