SCHEMBL4535484

SCHEMBL4535484

N=C/C=C(\N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.48
▸ F10 P00742 1/20 0.48
▸ F12 P00748 1/20 0.48
▸ F7 P08709 1/20 0.48
▸ F3 P13726 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ BLM P54132 2/20 0.46
▸ RECQL P46063 2/20 0.44
▸ PRSS1 P07477 2/20 0.44
▸ PRSS2 P07478 2/20 0.44
▸ PRSS3 P35030 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ C1S P09871 1/20 0.44
▸ TSHR P16473 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL16173855 0.87 WDR5 (0.55) PRSS1PRSS2PRSS3TDP1CYP3A4
SCHEMBL17449533 0.82 PRSS1 (0.59) F2F10F12F7F3
SCHEMBL16615090 0.81 PRSS1 (0.58) PRSS1PRSS2PRSS3KMT2AMAPT
SCHEMBL16615127 0.81 PRSS1 (0.58) F2F10F12F7F3
SCHEMBL15683852 0.78 BLM (0.44) F2F10F12F7F3
SCHEMBL24288500 0.77 ALDH1A1 (0.40) PKMKMT2ATDP1MAPTMEN1
SCHEMBL14980676 0.77 RECQL (0.52) RECQLCA1CA2ALDH1A1CES2
SCHEMBL10151288 0.77 CES2 (0.39) CA1CA2CES2CES1
SCHEMBL18088798 0.77 PARP1 (0.52) TDP1CYP3A4PARP1MAPTHSD17B10
SCHEMBL4713676 0.76 TDP1 (0.48) F2F10F12F7F3

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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 — — US disclosed
US-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 — — 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 (2 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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 F2 104/4885F10 1353/4885F12 166/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 F2 104/4885F10 1353/4885F12 166/4885

“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.

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