SCHEMBL14169181

SCHEMBL14169181

CC(Nc1cccc(C(=N)N)c1)Nc1cccc(C(=N)N)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 8/20 0.47
▸ PRSS2 P07478 5/20 0.47
▸ PRSS3 P35030 5/20 0.47
▸ F2 P00734 4/20 0.47
▸ PLG P00747 2/20 0.47
▸ C1S P09871 1/20 0.47
▸ NOS1 P29475 1/20 0.46
▸ PLAU P00749 1/20 0.45
▸ PLAT P00750 1/20 0.45
▸ KLKB1 P03952 1/20 0.45
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ F10 P00742 1/20 0.42
▸ F12 P00748 1/20 0.42
▸ F7 P08709 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ PKM P14618 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
SCHEMBL202931 0.82 ITGB3 (0.51) PRSS1PRSS2PRSS3F2PLG
SCHEMBL10177622 0.79 PRSS1 (0.52) PRSS1PRSS2PRSS3F2PLG
SCHEMBL7865712 0.76 NOS1 (0.51) PRSS1PRSS2PRSS3F2PLG
SCHEMBL10671451 0.76 PRSS1 (0.52) PRSS1PRSS2PRSS3F2PLG
SCHEMBL1436168 0.74 ALDH1A1 (0.59) F10
SCHEMBL15547311 0.73 PRSS1 (0.70) PRSS1PRSS2PRSS3F2PLG
Amicarbalide SCHEMBL1818799 0.73 PLAU (0.65) PRSS1PRSS2PRSS3F2PLG
SCHEMBL7410095 0.73 PRSS1 (0.49) PRSS1PRSS2PRSS3F2PLG
Hydrochloric Acid SCHEMBL3576551 0.72 ALDH1A1 (0.57) PLAUF10
SCHEMBL14445615 0.72 PRSS1 (0.52) PRSS1PRSS2PRSS3F2PLG

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-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS SILICON VALLEY BANK 2008-06-05 — — US disclosed
US-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS SILICON VALLEY BANK 2008-06-05 — — 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-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS ABCB11, SLC47A2, SLC47A1 PRSS1 1743/4885PRSS2 2711/4885PRSS3 3057/4885

“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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