SCHEMBL7103698

SCHEMBL7103698

CCn1cnc(C2=CCCc3c2ccc(OC)c3[N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
PKM P14618 2/20 0.39
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 5/20 0.35
CYP3A4 P08684 4/20 0.35
CYP1A2 P05177 4/20 0.35
CYP2C9 P11712 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7149878 0.92 ALDH1A1 (0.37) ALDH1A1PKMRAB9ASMN1; SMN2CYP2C19
SCHEMBL7102908 0.86 MEN1 (0.36) ALDH1A1PKMCYP2C19CYP3A4CYP1A2
SCHEMBL7098652 0.81 CYP1A2 (0.33) CYP2C19CYP3A4CYP1A2CYP2C9MAPT
SCHEMBL7102993 0.77 MEN1 (0.37) CYP2C19CYP3A4CYP1A2CYP2C9MAPT
SCHEMBL7142509 0.74 CYP1A2 (0.37) CYP2C19CYP3A4CYP1A2CYP2C9MAPT
SCHEMBL7102160 0.74 HTR1A (0.36) ALDH1A1CYP2C19CYP3A4CYP1A2CYP2C9
SCHEMBL7165797 0.71 MAPT (0.35) ALDH1A1CYP2C19CYP3A4CYP1A2CYP2C9
SCHEMBL6113057 0.70 CYP1A2 (0.43) CYP2C19CYP3A4CYP1A2CYP2C9MAPT
SCHEMBL7102085 0.68 ALDH1A1 (0.31) ALDH1A1CYP3A4
SCHEMBL8731922 0.67 MAPT (0.41) ALDH1A1CYP2C19CYP3A4CYP1A2CYP2C9

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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A ALDH1A1 263/4885PKM 3852/4885RAB9A 2084/4885

“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.