SCHEMBL11981522

SCHEMBL11981522

CCc1ccc(CNCCCNC(=N)N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CHRM2 P08172 3/20 0.42
▸ IDO1 P14902 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HDAC3 O15379 3/20 0.40
▸ HDAC4 P56524 3/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC7 Q8WUI4 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC9 Q9UKV0 3/20 0.40

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
SCHEMBL14853409 0.87 CHRM2 (0.59) HRH4HRH3SMN1; SMN2CHRM2IDO1
SCHEMBL11960431 0.83 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19573402 0.83 L3MBTL1 (0.50) L3MBTL1HRH4HRH3LMNASMN1; SMN2
SCHEMBL11981491 0.81 IDO1 (0.52) L3MBTL1LMNASMN1; SMN2IDO1CYP2C19
SCHEMBL12075816 0.78 PLK1 (0.51) L3MBTL1HDAC3TDP1
SCHEMBL10310256 0.78 ST14 (0.49) L3MBTL1LMNASMN1; SMN2IDO1KMT2A
SCHEMBL11981710 0.76 LMNA (0.42) L3MBTL1LMNASMN1; SMN2IDO1CYP1A2
SCHEMBL11981551 0.76 BCHE (0.43) L3MBTL1LMNAIDO1CYP1A2CYP2D6
SCHEMBL12075395 0.76 LMNA (0.42) L3MBTL1LMNASMN1; SMN2IDO1MEN1
SCHEMBL11981728 0.76 IDO1 (0.38) L3MBTL1LMNASMN1; SMN2CHRM2IDO1

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
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 — — US disclosed
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-09 — — 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT L3MBTL1 606/4885HRH4 3383/4885HRH3 3537/4885
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same LPO, MPO, CAT L3MBTL1 577/4885HRH4 3276/4885HRH3 3404/4885

“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.

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