SCHEMBL14422809

SCHEMBL14422809

CCCCN(CCCCc1nc2ccccc2nc1C(=O)O)c1ncc(CC)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.40
AGTR2 P50052 4/20 0.40
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ELANE P08246 1/20 0.36
PTPN11 Q06124 1/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35

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
SCHEMBL5633134 0.84 TOP2A (0.42) AGTR1AGTR2MAPTALDH1A1SMN1; SMN2
SCHEMBL14422810 0.75 PPARD (0.41) AGTR1AGTR2MAPTALDH1A1SMN1; SMN2
SCHEMBL14229404 0.72 HTT (0.36) AGTR1AGTR2MAPTALDH1A1SMN1; SMN2
SCHEMBL14422811 0.71 TOP2A (0.38) AGTR1AGTR2MAPTALDH1A1SMN1; SMN2
SCHEMBL5632450 0.70 KDM4E (0.39) AGTR1AGTR2MAPTALDH1A1SMN1; SMN2
SCHEMBL14230204 0.69 MAPT (0.35) AGTR1AGTR2MAPTALDH1A1SMN1; SMN2
SCHEMBL8079175 0.69 ALDH1A1 (0.64) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL14422812 0.69 ACHE (0.37)
SCHEMBL5676042 0.69 AGTR1 (0.35) AGTR1AGTR2MAPTALDH1A1SMN1; SMN2
SCHEMBL29384642 0.67 LMNA (0.43) MAPTSMN1; SMN2MEN1LMNACYP3A4

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-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 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-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders PPARG, PPARA, PPARD AGTR1 730/4885AGTR2 819/4885MAPT 3596/4885

“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.