SCHEMBL3245741

SCHEMBL3245741

[CH2]c1ccc(CN(C)Cc2cccc(-c3ccncc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
ABHD6 Q9BV23 2/20 0.48
MGLL Q99685 1/20 0.46
HRH3 Q9Y5N1 1/20 0.42
ALOX5 P09917 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
USP30 Q70CQ3 1/20 0.40
KIF11 P52732 1/20 0.40
CYP17A1 P05093 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CYP19A1 P11511 2/20 0.39
AOC3 Q16853 2/20 0.39
HDAC1 Q13547 2/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL3236491 0.86 SMN1; SMN2 (0.46) HRH3ALOX5TAAR1KIF11CYP17A1
SCHEMBL3233011 0.86 EPHX2 (0.52) PRMT6CYP3A4CYP11B1CYP11B2
SCHEMBL3243661 0.84 PSMB5 (0.42) PRMT6TAAR1AOC3
SCHEMBL3245933 0.83 CLK4 (0.40) KDM4ESMN1; SMN2
SCHEMBL20031290 0.80 PRKCI (0.61) PRKCIPRMT6ABHD6MGLLHRH3
Hydrochloric Acid SCHEMBL7975188 0.76 AOC3 (0.55) PRMT6HRH3TAAR1CYP3A4AOC3
SCHEMBL15263998 0.75 ABHD6 (0.69) PRKCIPRMT6ABHD6MGLLUSP30
SCHEMBL3239914 0.74 CHRNB2 (0.67) KDM4E
SCHEMBL3242409 0.74 ALDH1A1 (0.54) PRMT6HRH3TAAR1CYP3A4AOC3
SCHEMBL30093206 0.72 KDM4E (0.53) HRH3ALOX5CYP3A4KDM4ESMN1; 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 PRKCI 302/4885PRMT6 3989/4885ABHD6 2437/4885

“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.