SCHEMBL18029395

SCHEMBL18029395

CCCN1CCN(C(=O)c2cccnc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ ALOX15 P16050 1/20 0.65
▸ FABP6 P51161 1/20 0.64
▸ HRH2 P25021 1/20 0.62
▸ HRH1 P35367 1/20 0.62
▸ MAPK1 P28482 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ PKM P14618 1/20 0.58
▸ GAA P10253 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ DRD2 P14416 1/20 0.55
▸ DRD3 P35462 1/20 0.55

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
SCHEMBL9640623 0.91 HRH2 (0.70) KDM4EALDH1A1ALOX15FABP6HRH2
SCHEMBL31329773 0.89 FABP6 (0.67) KDM4EALDH1A1ALOX15FABP6MAPK1
SCHEMBL28121975 0.89 FABP6 (0.67) KDM4EALDH1A1ALOX15FABP6MAPK1
SCHEMBL3323252 0.86 KDM4E (0.65) KDM4EALDH1A1ALOX15FABP6MAPK1
SCHEMBL18026640 0.85 ALDH1A1 (0.61) KDM4EALDH1A1ALOX15FABP6HRH2
SCHEMBL9763711 0.85 PKM (0.74) KDM4EALDH1A1FABP6MAPK1SMN1; SMN2
SCHEMBL14067207 0.84 FABP6 (0.64) KDM4EALDH1A1ALOX15FABP6MAPK1
SCHEMBL12225719 0.84 MAPK1 (0.69) KDM4EALDH1A1ALOX15FABP6MAPK1
SCHEMBL31329800 0.84 MAPK1 (0.69) KDM4EALDH1A1ALOX15FABP6MAPK1
SCHEMBL17131917 0.84 THRB (0.64) KDM4EALDH1A1HRH2HRH1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 — — 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-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO KDM4E 3910/4885ALDH1A1 1589/4885ALOX15 1407/4885

“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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