SCHEMBL13616494

SCHEMBL13616494

C/C=N/N1CCN(Cc2noc(-c3ccc(Cl)cc3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 1/20 0.43
CXCR1 P25024 1/20 0.43
ALDH1A1 P00352 4/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 3/20 0.40
GAA P10253 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL13616568 0.89 MAPK1 (0.43) RAB9ANPC1HTTL3MBTL1ALDH1A1
SCHEMBL4322809 0.81 NOTUM (0.55) NOTUMRAB9ANPC1HTTL3MBTL1
SCHEMBL13616468 0.80 NOTUM (0.48) NOTUMRAB9ANPC1HTTL3MBTL1
SCHEMBL13616496 0.76 NOTUM (0.46) NOTUMRAB9ANPC1L3MBTL1CXCR1
SCHEMBL13616492 0.73 ALDH1A1 (0.68) HTTKCNH2ALDH1A1PKMKDM4E
SCHEMBL13616490 0.73 ALDH1A1 (0.44) RAB9ANPC1HTTL3MBTL1ALDH1A1
SCHEMBL13616488 0.73 CYP1A2 (0.39) NPC1HTTALDH1A1PKMKDM4E
SCHEMBL13616500 0.72 DRD2 (0.49) NOTUMCXCR1
SCHEMBL13616469 0.70 NOTUM (0.51) NOTUMRAB9ANPC1L3MBTL1KCNH2
SCHEMBL19627022 0.70 NOTUM (0.70) NOTUMRAB9ANPC1HTTL3MBTL1

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 NOTUM 4303/4885RAB9A 588/4885NPC1 202/4885

“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.