SCHEMBL1817590

SCHEMBL1817590

Cn1ccc2cc(C(=N)N)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 7/20 0.64
PLG P00747 4/20 0.64
PRKCI P41743 1/20 0.55
MAOB P27338 2/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48
PRSS1 P07477 2/20 0.47

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
SCHEMBL8296673 0.86 PLAU (0.51) PLAUPLGPRKCIPRSS1F2
SCHEMBL8574795 0.82 AR (0.64) PRKCIMAOBTUBB4ATUBBTUBA3C
SCHEMBL30098896 0.82 AR (0.64) PRKCIMAOBTUBB4ATUBBTUBA3C
SCHEMBL27744167 0.80 PLAU (0.61) PLAUPLGPRSS1F2KLKB1
SCHEMBL17654485 0.80 PLAU (0.61) PLAUPLGPRSS1F2KLKB1
SCHEMBL27317702 0.80 MAOB (0.54) PLAUPLGPRKCIMAOBTUBB4A
SCHEMBL12277801 0.79 PRKCI (0.51) PLAUPLGPRKCIMAOBTUBB4A
SCHEMBL2414207 0.79 MAOB (0.49) PLAUPLGPRKCIMAOBTUBB4A
SCHEMBL2414210 0.79 PRKCI (0.51) PLAUPLGPRKCIMAOBTUBB4A
Hydrochloric Acid SCHEMBL27423848 0.79 MAOB (0.53) PLAUPLGPRKCIMAOBTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4397863-A PROPHYLAXIS RESEARCH TRIANGLE INSTITUTE (US) 1983-08-09 US claimed
US-7994225-B2 Combination of an antibiotic and a drug such as pentamidine or salts thereof to treat drug resistant eye and ear infections REMPEX PHARMACEUTICALS, INC. (US) 2011-08-09 US disclosed
US-7947741-B2 Use and administration of bacterial efflux pump inhibitors MPEX PHARMACEUTICALS, INC. (US) 2011-05-24 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
US-20060276473-A1 Use and administration of bacterial efflux pump inhibitors REMPEX PHARMACEUTICALS, INC. 2006-12-07 US disclosed
US-4619942-A Inhibition of Respiratory Syncytial virus-induced cell fusion by amidino compounds UNIVERSITY OF NORTH CAROLINA (US) 1986-10-28 US disclosed
US-4619942-A Inhibition of Respiratory Syncytial virus-induced cell fusion by amidino compounds UNIVERSITY OF NORTH CAROLINA (US) 1986-10-28 US disclosed
US-4397863-A PROPHYLAXIS RESEARCH TRIANGLE INSTITUTE (US) 1983-08-09 US disclosed
US-4397863-A PROPHYLAXIS RESEARCH TRIANGLE INSTITUTE (US) 1983-08-09 US disclosed
US-4324794-A PREVENTION OF EPIDEMICS BY PROPHYLACTIC ADMINISTRATION RESEARCH TRIANGLE INSTITUTE (US) 1982-04-13 US disclosed
US-4324794-A PREVENTION OF EPIDEMICS BY PROPHYLACTIC ADMINISTRATION RESEARCH TRIANGLE INSTITUTE (US) 1982-04-13 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-20060276473-A1 Use and administration of bacterial efflux pump inhibitors ABCB11, ABCC1, ABCB1 PLAU 2604/4885PLG 2961/4885PRKCI 2307/4885
US-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS ABCB11, SLC47A2, SLC47A1 PLAU 2512/4885PLG 2624/4885PRKCI 3975/4885

“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.