SCHEMBL4310428

SCHEMBL4310428

NN1CCN(Cc2ccc(-c3ccc(Cl)cc3)s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 2/20 0.42
LSS P48449 1/20 0.41
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IKBKB O14920 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PRKDC P78527 1/20 0.37
MCHR1 Q99705 4/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4307358 0.85 CYP2E1 (0.53) DRD4SIGMAR1ALDH1A1KMT2AKDM4E
SCHEMBL32667411 0.82 ALDH1A1 (0.55) INPPL1LSSSIGMAR1ALDH1A1MEN1
SCHEMBL13940662 0.82 INPPL1 (0.44) INPPL1LSSALDH1A1SMN1; SMN2MEN1
SCHEMBL13616490 0.79 ALDH1A1 (0.44) INPPL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11383855 0.73 SIGMAR1 (0.68) LSSDRD4SIGMAR1ALDH1A1MEN1
SCHEMBL25156202 0.73 PRMT6 (0.49) INPPL1ALDH1A1KDM4ETDP1HTT
SCHEMBL8184125 0.73 ALDH1A1 (0.53) INPPL1ALDH1A1KDM4ETDP1HTT
SCHEMBL3042026 0.72 S1PR5 (0.53)
SCHEMBL4411621 0.72 CYP2A6 (0.66) ALDH1A1MEN1KMT2AIKBKBRAB9A
SCHEMBL28321103 0.72 KDM4E (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO disclosed
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US disclosed
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 INPPL1 1403/4885LSS 423/4885DRD4 2082/4885

“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.