SCHEMBL7090366

SCHEMBL7090366

O=S(=O)(N1CCCC1)N1CCC(Cc2ccc(Nc3cnccn3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 3/20 0.39
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CHEK1 O14757 1/20 0.38
CHEK2 O96017 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
FPR2 P25090 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7092587 0.77 ADRA2A (0.52)
SCHEMBL5838592 0.76 ADRA2A (0.51)
Hydrochloric Acid SCHEMBL7090416 0.73 CHRM2 (0.45) SMN1; SMN2NAMPTALDH1A1KMT2APOLB
SCHEMBL5838835 0.71 MEN1 (0.60) MAPK1FPR2PROKR1ALDH1A1MEN1
SCHEMBL5838187 0.69 PDK1 (0.47) NAMPTALDH1A1MEN1TSHRKMT2A
SCHEMBL5336016 0.68 MAPK14 (0.46) MEN1KMT2ACYP2C9GRIN2B
SCHEMBL4928172 0.66 KMT2A (0.46) SMN1; SMN2HPGDALDH1A1MEN1KMT2A
SCHEMBL31043786 0.66 MEN1 (0.46) SMN1; SMN2NAMPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5839692 0.64 ADRA2A (0.52) ALDH1A1
SCHEMBL11252654 0.64 CDK2 (0.60) CA12CA1CA2CA9MEN1

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-6596876-B2 Prostaglandin I2 inhibitors SYNTEX (U.S.A.) LLC 2003-07-22 US disclosed
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2003-02-20 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-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 SMN1; SMN2 4715/4885NAMPT 3309/4885MAPK1 1650/4885

“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.