SCHEMBL3240403

SCHEMBL3240403

[CH2]c1ccc(CN2Cc3ccccc3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BACE1 P56817 1/20 0.46
HPGD P15428 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
NOS1 P29475 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
DRD3 P35462 2/20 0.42
KCNH2 Q12809 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6672942 0.83 SIGMAR1 (0.62) BACE1SIGMAR1DRD3KCNH2ADRA2A
Hydrochloric Acid SCHEMBL16713355 0.81 SIGMAR1 (0.60) BACE1SIGMAR1DRD3KCNH2ADRA2A
SCHEMBL3160288 0.80 LMNA (0.56) MEN1KMT2ABACE1HPGDCYP3A4
SCHEMBL30052671 0.80 LMNA (0.63) MEN1KMT2ABACE1SIGMAR1NOS1
SCHEMBL3239848 0.79 KMT2A (0.46) MEN1KMT2ASIGMAR1DRD3KCNH2
SCHEMBL17618296 0.79 SIGMAR1 (0.46) MEN1KMT2ABACE1CYP2D6CYP2C19
SCHEMBL6706498 0.77 TAAR1 (0.48) MEN1KMT2ABACE1HPGDCYP3A4
SCHEMBL16724560 0.76 CYP19A1 (0.47) MEN1KMT2ABACE1HPGDCYP2D6
SCHEMBL22550061 0.76 MEN1 (0.50) MEN1KMT2ABACE1HPGDCYP3A4
SCHEMBL15573644 0.76 ATM (0.56) MEN1KMT2AHPGDSIGMAR1ALDH1A1

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 MEN1 2895/4885KMT2A 4715/4885BACE1 4168/4885

“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.