SCHEMBL4317015

SCHEMBL4317015

NN1CCN(Cc2onc(-c3ccc(Cl)cc3)c2C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
GPBAR1 Q8TDU6 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP4B1 P13584 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP3A5 P20815 1/20 0.41
CYP2A7 P20853 1/20 0.41
CYP3A7 P24462 1/20 0.41
CYP2F1 P24903 1/20 0.41
CYP2C18 P33260 1/20 0.41
CYP2J2 P51589 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4F8 P98187 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
SCHEMBL4310411 0.87 LMNA (0.51) CYP1A2CYP2D6CYP2C19CYP2C9GPBAR1
SCHEMBL13616488 0.83 CYP1A2 (0.39) CYP1A2CYP2D6CYP2C19CYP2C9GPBAR1
SCHEMBL13616560 0.73 SMN1; SMN2 (0.43) HTTSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL13616487 0.72 LMNA (0.47) CYP1A2CYP2D6CYP2C19CYP2C9HTT
SCHEMBL3548012 0.69 GPBAR1 (0.66) GPBAR1MAPTALDH1A1KDM4ENPC1
SCHEMBL4312299 0.68 NOTUM (0.58) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL4322809 0.68 NOTUM (0.55) CYP1A2CYP2D6CYP2C19HTTSMN1; SMN2
SCHEMBL9848139 0.67 KMT2A (0.49) CYP1A2CYP2D6CYP2C19CYP2C9GPBAR1
Hydrochloric Acid SCHEMBL9848168 0.66 NPC1 (0.46) HTTSMN1; SMN2LMNATP53MAPT
SCHEMBL9848115 0.66 PTGS2 (0.47) LMNATP53MAPTALDH1A1KDM4E

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 CYP1A2 1054/4885CYP2D6 725/4885CYP2C19 992/4885

“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.