SCHEMBL1468321

SCHEMBL1468321

N=C(N)c1ccc([CH]Cc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.59
PRMT1 Q99873 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
CYP2C19 P33261 1/20 0.59
HSD17B10 Q99714 1/20 0.59
F10 P00742 9/20 0.57
PRSS1 P07477 4/20 0.57
PRSS3 P35030 4/20 0.57
PRSS2 P07478 3/20 0.57
LOXL2 Q9Y4K0 1/20 0.57
F2 P00734 12/20 0.48
TMPRSS6 Q8IU80 1/20 0.48
ST14 Q9Y5Y6 1/20 0.48
PLG P00747 1/20 0.47
C1S P09871 1/20 0.47
PLAU P00749 2/20 0.46
LMNA P02545 1/20 0.46
MASP2 O00187 1/20 0.46
THPO P40225 1/20 0.46

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
SCHEMBL6180083 0.90 F2 (0.54) PRMT5PRMT1ALDH1A1HPGDCYP2C19
SCHEMBL6204477 0.90 F2 (0.54) PRMT5PRMT1ALDH1A1HPGDCYP2C19
SCHEMBL6207335 0.81 PRMT5 (0.61) PRMT5PRMT1ALDH1A1HPGDCYP2C19
Hydrochloric Acid SCHEMBL10668598 0.79 PRMT5 (0.64) PRMT5PRMT1ALDH1A1HPGDCYP2C19
Hydrochloric Acid SCHEMBL10668601 0.79 PRMT5 (0.64) PRMT5PRMT1ALDH1A1HPGDCYP2C19
SCHEMBL6204550 0.78 PRMT5 (0.57) PRMT5PRMT1ALDH1A1HPGDCYP2C19
SCHEMBL5456054 0.76 ALDH1A1 (0.67) PRMT5PRMT1ALDH1A1HPGDCYP2C19
Bromide SCHEMBL11499076 0.75 PRSS1 (0.57) PRMT5PRMT1ALDH1A1HPGDCYP2C19
SCHEMBL8669208 0.75 ALDH1A1 (0.59) ALDH1A1APEX1
Hydrochloric Acid SCHEMBL9280078 0.75 PRSS1 (0.57) PRMT5PRMT1ALDH1A1HPGDCYP2C19

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-20110071285-A1 LOW-MOLECULAR SERINE PROTEASES INHIBITORS COMPRISING POLYHYDROXY-ALKYL AND POLYHYDROXY-CYCLOALKYL RADICALS ABBOTT GMBH & CO. KG (DE) 2011-03-24 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-20110071285-A1 LOW-MOLECULAR SERINE PROTEASES INHIBITORS COMPRISING POLYHYDROXY-ALKYL AND POLYHYDROXY-CYCLOALKYL RADICALS F2R, C1R, PRSS1 PRMT5 2250/4885PRMT1 2004/4885ALDH1A1 2835/4885

“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.