SCHEMBL13616480

SCHEMBL13616480

C/C=N/N1CCN(Cc2cc(-c3ccccn3)no2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CXCR1 P25024 1/20 0.39
IGF1R P08069 4/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
DCTPP1 Q9H773 1/20 0.34
FGFR1 P11362 1/20 0.34
KDR P35968 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL13616467 0.85 SMN1; SMN2 (0.47) CA12CA9NPC1RAB9AL3MBTL1
SCHEMBL13616483 0.81 HDAC3 (0.41) IGF1RL3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL13616481 0.81 CYP2A6 (0.52) CA12CA9IGF1RALDH1A1MAPT
SCHEMBL4309343 0.81 CA12 (0.49) CA12CA9CXCR1IGF1RNPC1
SCHEMBL13616475 0.79 HDAC3 (0.43) NPC1RAB9AGAAL3MBTL1ALDH1A1
SCHEMBL13616471 0.78 DRD2 (0.46) CXCR1IGF1RNPC1RAB9AALDH1A1
SCHEMBL13616468 0.78 NOTUM (0.48) CXCR1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL13616469 0.78 NOTUM (0.51) CXCR1IGF1RNPC1RAB9AL3MBTL1
SCHEMBL13616476 0.76 DRD2 (0.41) GAAL3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL13616473 0.76 HDAC3 (0.39) IGF1RALDH1A1MAPTHDAC3HDAC4

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 CA12 4834/4885CA9 4475/4885CXCR1 3625/4885

“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.