SCHEMBL5380705

SCHEMBL5380705

CSc1ccc(CNc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
RAB9A P51151 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
RECQL P46063 1/20 0.42
CYP3A4 P08684 2/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
CYP2D6 P10635 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
SCHEMBL5386579 0.86 HTT (0.46) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL5382198 0.84 HTT (0.47) HTTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL5458233 0.83 HTT (0.46) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL5383927 0.82 APP (0.45) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL5380660 0.81 HTT (0.53) HTTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5383190 0.81 CA1 (0.44) HTT
SCHEMBL5383900 0.80 APP (0.45) HTTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL5382238 0.80 HTT (0.40) HTTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL14503575 0.79 MEN1 (0.50) HTTMEN1KMT2ARAB9ACYP1A2
SCHEMBL5383344 0.79 CA1 (0.58)

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
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 HTT 949/4885MEN1 3779/4885KMT2A 3738/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD HTT 516/4885MEN1 2632/4885KMT2A 3545/4885

“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.