SCHEMBL9650651

SCHEMBL9650651

CCCCOc1ccc(C(=N)N)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.81
TMPRSS2 O15393 2/20 0.81
PRMT1 Q99873 3/20 0.79
F2 P00734 2/20 0.79
ST14 Q9Y5Y6 2/20 0.79
PLAU P00749 1/20 0.79
PRMT5 O14744 1/20 0.79
SLC22A2 O15244 1/20 0.79
SLC22A1 O15245 1/20 0.79
PTP4A3 O75365 1/20 0.79
SLC22A3 O75751 1/20 0.79
F10 P00742 1/20 0.79
PLG P00747 1/20 0.79
S100B P04271 1/20 0.79
CHRM2 P08172 1/20 0.79
CHRM4 P08173 1/20 0.79
CHRM5 P08912 1/20 0.79
ADRA2A P08913 1/20 0.79
CYP2D6 P10635 1/20 0.79
AOC1 P19801 1/20 0.79

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
Hydrochloric Acid SCHEMBL11182186 0.98 PRSS1 (0.82) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL7571948 0.96 PRSS1 (0.82) PRSS1TMPRSS2PRMT1F2ST14
Hydrochloric Acid SCHEMBL28283096 0.96 PRSS1 (0.76) PRSS1TMPRSS2PRMT1F2ST14
Hydrochloric Acid SCHEMBL11610062 0.95 PRSS1 (0.83) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL9650594 0.95 PRMT1 (0.83) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL19520564 0.95 PRMT1 (0.83) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL1408670 0.95 PRMT1 (0.83) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL9650565 0.95 PRMT1 (0.83) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL9649959 0.95 PRMT1 (0.83) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL9649874 0.95 PRMT1 (0.83) PRSS1TMPRSS2PRMT1F2ST14

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148439-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2018-05-31 US disclosed
US-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2017-10-19 US disclosed
US-5112523-A High clearing point for liquid crystal displays CHISSO CORPORATION (JP) 1992-05-12 US disclosed
US-4874546-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1989-10-17 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-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS DDOST, LBR, STS PRSS1 295/4885TMPRSS2 598/4885PRMT1 3513/4885
US-20180148439-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA LACTAMS DDOST, LBR, STS PRSS1 295/4885TMPRSS2 598/4885PRMT1 3513/4885

“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.