SCHEMBL4307102

SCHEMBL4307102

NN1CCN(Cc2cc(-c3ccc(Cl)cc3Cl)no2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
NOTUM Q6P988 1/20 0.39
CYP2A13 Q16696 1/20 0.38
ALPL P05186 3/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL4312299 0.83 NOTUM (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13616470 0.82 MAPT (0.39) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4320548 0.80 NOTUM (0.61) MAPTCYP1A2CYP2C19NPC1RAB9A
SCHEMBL2904156 0.77 NOTUM (0.64) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4307364 0.75 NOTUM (0.56) MAPTNPC1RAB9AL3MBTL1LMNA
SCHEMBL5304351 0.74 NOTUM (0.64) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4314667 0.74 CYP11B1 (0.45) MAPTCYP2C19NOTUMDRD2DRD4
SCHEMBL4317470 0.73 NOTUM (0.56) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4307346 0.73 HDAC3 (0.41) MAPTHTTALDH1A1NOTUMDRD2
SCHEMBL4307369 0.73 DRD2 (0.51) MAPTNPC1RAB9ANOTUMPTGS2

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 MAPT 3175/4885CYP1A2 1054/4885CYP3A4 402/4885

“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.