SCHEMBL4905162

SCHEMBL4905162

Cc1cc(C)n(-c2cc(N3CCN(c4ccsc4C=O)CC3)ccc2[N+](=O)[O-])n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.72
▸ MAPT P10636 7/20 0.58
▸ CYP2C19 P33261 4/20 0.58
▸ CYP2C9 P11712 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ EED O75530 2/20 0.57
▸ ALDH1A1 P00352 6/20 0.56
▸ NPSR1 Q6W5P4 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ CYP1A2 P05177 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL2485004 0.84 HTR6 (1.00) HTR6MAPTCYP2C19CYP2C9SMN1; SMN2
SCHEMBL2388121 0.83 HTR6 (0.70) HTR6MAPTCYP2C19CYP2C9SMN1; SMN2
SCHEMBL2482927 0.79 HTR6 (1.00) HTR6MAPTCYP2C19CYP2C9SMN1; SMN2
SCHEMBL2483606 0.76 ALDH1A1 (0.69) HTR6MAPTCYP2C19CYP2C9SMN1; SMN2
SCHEMBL1844148 0.74 ALDH1A1 (0.81) HTR6MAPTCYP2C19CYP2C9SMN1; SMN2
SCHEMBL6708642 0.74 SIRT6 (0.56) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL12205259 0.69 MAPT (0.61) HTR6MAPTCYP2C19CYP2C9SMN1; SMN2
SCHEMBL2484504 0.66 MAPT (0.76) HTR6MAPTCYP2C19CYP2C9SMN1; SMN2
SCHEMBL6712583 0.66 MAPT (0.49) MAPTCYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL31000456 0.65 ALDH1A1 (1.00) HTR6MAPTCYP2C19CYP2C9SMN1; 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-20080176854-A1 Nitro-Substituted Phenyl-Piperazine Compounds, Their Preparation and Use in Medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2008-07-24 — — 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-20080176854-A1 Nitro-Substituted Phenyl-Piperazine Compounds, Their Preparation and Use in Medicaments HTR6, HTR5A, P2RX5 HTR6 1/4885MAPT 3000/4885CYP2C19 287/4885

“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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