SCHEMBL14519313

SCHEMBL14519313

CSc1cc(-c2ccc(-c3ccc(NC(=N)N)c(SC)c3)o2)ccc1NC(=N)N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 13/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ PRMT1 Q99873 2/20 0.40
▸ TOP1 P11387 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TOP2A P11388 2/20 0.39
▸ TOP2B Q02880 2/20 0.39
▸ PDE4A P27815 1/20 0.36
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL6752581 0.77 PDE4A (0.58) NQO2ALDH1A1HPGDHSD17B10PRMT1
SCHEMBL6751869 0.76 POLB (0.47) NQO2ALDH1A1HPGDHSD17B10PRMT1
Hydrochloric Acid SCHEMBL5490684 0.76 TOP2A (0.45) NQO2ALDH1A1HPGDHSD17B10PRMT1
Hydrochloric Acid SCHEMBL5418438 0.75 POLB (0.46) NQO2ALDH1A1HPGDHSD17B10PRMT1
Hydrochloric Acid SCHEMBL5431184 0.72 PDE4A (0.39) NQO2ALDH1A1HPGDHSD17B10PRMT1
Hydrochloric Acid SCHEMBL5431175 0.70 PDE4A (0.39) NQO2ALDH1A1HPGDHSD17B10PRMT1
SCHEMBL6753019 0.69 ESR1 (0.36) NQO2ALDH1A1HPGDHSD17B10PRMT1
SCHEMBL5142092 0.69 NQO2 (0.57) NQO2ALDH1A1HPGDHSD17B10PRMT1
SCHEMBL23566023 0.67 NQO2 (0.55) NQO2ALDH1A1HPGDHSD17B10PRMT1
Hydrochloric Acid SCHEMBL3363452 0.67 TOP2A (0.58) NQO2ALDH1A1HPGDHSD17B10PRMT1

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-20070088067-A1 Novel amidine compounds for treating microbial infections GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-04-19 — — US disclosed
US-20070088067-A1 Novel amidine compounds for treating microbial infections GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-04-19 — — US disclosed
US-20070021483-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-01-25 — — US disclosed
US-20070021483-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-01-25 — — 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-20070088067-A1 Novel amidine compounds for treating microbial infections ARG1, ARG2, GSDMD NQO2 1427/4885ALDH1A1 4418/4885HPGD 1569/4885
US-20070021483-A1 Amidine derivatives for treating amyloidosis APP, IAPP, GRN NQO2 205/4885ALDH1A1 2283/4885HPGD 1256/4885

“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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