SCHEMBL4319209

SCHEMBL4319209

O=CC=Cc1cc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
NOTUM Q6P988 2/20 0.46
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 8/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
MAPT P10636 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
HTT P42858 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
JAK2 O60674 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 2/20 0.39
ALPG P10696 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4319206 1.00 RAB9A (0.46) RAB9ANPC1NOTUMPOLBSMN1; SMN2
SCHEMBL1316982 0.83 RAB9A (0.51) RAB9ANPC1NOTUMPOLBSMN1; SMN2
SCHEMBL9213944 0.70 RAB9A (0.59) RAB9ANPC1NOTUMPOLBSMN1; SMN2
SCHEMBL3611504 0.69 PTPN1 (0.57) RAB9ANPC1NOTUMPOLBSMN1; SMN2
SCHEMBL2554420 0.69 KMT2A (0.50) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL2554418 0.69 KMT2A (0.50) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL4134670 0.69 NOTUM (0.54) RAB9ANPC1NOTUMPOLBSMN1; SMN2
SCHEMBL3411371 0.69 RAB9A (0.46) RAB9ANPC1NOTUMPOLBSMN1; SMN2
SCHEMBL18489825 0.69 NPC1 (0.86) RAB9ANPC1NOTUMMAPTL3MBTL1
SCHEMBL15009109 0.68 PTPN1 (0.41) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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 2 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
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 RAB9A 588/4885NPC1 202/4885NOTUM 4303/4885

“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.