SCHEMBL1154499

SCHEMBL1154499

[c]1cc(-c2ccncc2)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
IDO1 P14902 1/20 0.36
NOTUM Q6P988 1/20 0.36
KIF11 P52732 2/20 0.35
RAB9A P51151 7/20 0.35
NPC1 O15118 5/20 0.35
MAPK14 Q16539 2/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
AR P10275 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 4/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 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
SCHEMBL346163 0.78 NOTUM (0.42) MAPTNOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL4322903 0.78 ENPP3 (0.42) MAPTLMNAPKMNOTUMRAB9A
SCHEMBL4317407 0.78 KIF11 (0.45) LMNANOTUMKIF11RAB9ANPC1
SCHEMBL973674 0.76 CYP2A6 (0.50) MAPTLMNATP53RAB9ANPC1
SCHEMBL3283855 0.74 NPC1 (0.46) MAPTLMNAPKMRAB9ANPC1
SCHEMBL3937636 0.69 AHR (0.48) MAPTTP53NOTUMRAB9ANPC1
SCHEMBL2407790 0.68 CYP1A2 (0.51) MAPTLMNATP53PKMRAB9A
SCHEMBL10000032 0.66 MAPT (0.92) MAPTLMNATP53PKMNOTUM
SCHEMBL135626 0.66 MAPT (0.92) MAPTLMNATP53PKMNOTUM
SCHEMBL13363884 0.64 CYP1A2 (0.46) MAPTLMNATP53PKMIDO1

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 claimed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US claimed
US-20110039693-A1 Pyrimidylmethyl Sulfonamide Compounds BASF SE (DE) 2011-02-17 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110039693-A1 Pyrimidylmethyl Sulfonamide Compounds TPMT, NQO2, TST MAPT 4182/4885LMNA 3704/4885TP53 2061/4885
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, ABCC1, HDAC6 MAPT 3175/4885LMNA 2521/4885TP53 2684/4885

“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.