SCHEMBL17704923

SCHEMBL17704923

C/C(N)=N/N=C/c1c(Cl)cccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A1 O15245 1/20 0.73
▸ HTR1A P08908 1/20 0.73
▸ ADRA2A P08913 1/20 0.73
▸ CHRM1 P11229 1/20 0.73
▸ ADRA2B P18089 1/20 0.73
▸ ADRA2C P18825 1/20 0.73
▸ MAOA P21397 1/20 0.73
▸ DRD1 P21728 1/20 0.73
▸ TBXA2R P21731 1/20 0.73
▸ SLC6A2 P23975 1/20 0.73
▸ ADRA1D P25100 1/20 0.73
▸ HTR2A P28223 1/20 0.73
▸ HTR2C P28335 1/20 0.73
▸ SLC6A4 P31645 1/20 0.73
▸ ADRA1A P35348 1/20 0.73
▸ OPRM1 P35372 1/20 0.73
▸ DRD3 P35462 1/20 0.73
▸ HTR2B P41595 1/20 0.73
▸ MTOR P42345 1/20 0.73
▸ SLC6A3 Q01959 1/20 0.73

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
Guanabenz SCHEMBL219392 0.85 TAAR1 (1.00) SLC22A1HTR1AADRA2ACHRM1ADRA2B
Guanabenz SCHEMBL15390 0.85 TAAR1 (1.00) SLC22A1HTR1AADRA2ACHRM1ADRA2B
Guanabenz SCHEMBL3054917 0.83 NPSR1 (1.00) SLC22A1HTR1AADRA2ACHRM1ADRA2B
SCHEMBL22761365 0.81 SLC22A1 (0.67) SLC22A1HTR1AADRA2ACHRM1ADRA2B
Guanoxabenz SCHEMBL122727 0.79 SLC22A1 (0.69) SLC22A1HTR1AADRA2ACHRM1ADRA2B
Guanoxabenz SCHEMBL17802522 0.79 SLC22A1 (0.69) SLC22A1HTR1AADRA2ACHRM1ADRA2B
Guanoxabenz SCHEMBL19715284 0.79 SLC22A1 (0.69) SLC22A1HTR1AADRA2ACHRM1ADRA2B
SCHEMBL8925019 0.77 SLC22A1 (0.67) SLC22A1HTR1AADRA2ACHRM1ADRA2B
SCHEMBL8925014 0.77 SLC22A1 (0.67) SLC22A1HTR1AADRA2ACHRM1ADRA2B
SCHEMBL11754270 0.77 NPSR1 (0.63) SLC22A1HTR1AADRA2ACHRM1ADRA2B

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-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 — — 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-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 SLC22A1 2475/4885HTR1A 3761/4885ADRA2A 3126/4885

“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.

Send feedback