Sugi Predict

Sugi Predict / Compounds / SCHEMBL1395480

SCHEMBL1395480

SCHEMBL1395480

CN(C)C(=[O+]n1nnc2ccccc21)N(C)C.F[B-](F)(F)F.On1nnc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ DGAT1 O75907 1/20 0.37
▸ SLC9A1 P19634 5/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ CYP4Z1 Q86W10 1/20 0.33
▸ MGAM O43451 4/20 0.32

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
SCHEMBL2824611 0.93 SLC9A1 (0.41) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL1941412 0.93 SLC9A1 (0.41) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL44479 0.93 SLC9A1 (0.41) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL5332213 0.92 SLC9A1 (0.40) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL78773 0.88 SLC9A1 (0.46) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL30378712 0.88 SLC9A1 (0.46) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL5379722 0.87 MAPK1 (0.46) POLBMAPK1ATMALDH1A1MAPT
SCHEMBL5090298 0.86 SLC9A1 (0.44) POLBMAPK1ATMDGAT1SLC9A1
Bromide SCHEMBL5514455 0.86 SLC9A1 (0.44) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL1462681 0.86 SLC9A1 (0.44) POLBMAPK1ATMDGAT1SLC9A1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009605-A1 NEW ASSAYS FOR PREIMPLANTATION FACTOR AND PREIMPLANTATION FACTOR PEPTIDES BIOINCEPT, LLC (US) 2012-01-12 — — US disclosed
US-8012700-B2 Assays for preimplantation factor and preimplantation factor peptides BIOINCEPT, LLC (US) 2011-09-06 — — US disclosed
US-7858616-B2 Indolinone derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-12-28 — — US disclosed
US-20100197040-A1 ASSAYS FOR PREIMPLANTATION FACTOR AND PREIMPLANTATION FACTOR PEPTIDES BIOINCEPT, LLC (US) 2010-08-05 — — US disclosed
US-7695977-B2 Assays for preimplantation factor and preimplantation factor peptides BIOINCEPT, LLC (US) 2010-04-13 — — US disclosed
US-7678582-B2 Assays for preimplantation factor and preimplantation factor peptides BIOINCEPT, LLC (US) 2010-03-16 — — US disclosed
US-7670852-B2 Assays for preimplantation factor and preimplantation factor peptides BIOINCEPT, LLC (US) 2010-03-02 — — US disclosed
US-7670850-B2 Assays for preimplantation factor and preimplantation factor peptides BIOINCEPT, LLC (US) 2010-03-02 — — US disclosed
US-7670851-B2 Assays for preimplantation factor and preimplantation factor peptides BIOINCEPT, LLC (US) 2010-03-02 — — US disclosed
EP-1404877-B1 ASSAYS FOR PREIMPLANTATION FACTOR AND PREIMPLANTATION FACTOR PEPTIDES BIOINCEPT LLC (US) 2010-01-06 — — EP disclosed
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 — — US disclosed
US-20030004181-A1 Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-02 — — US disclosed
US-6469039-B1 BENZIMIDAZOLES; THROMBIN- INHIBITING ACTIVITY AND THE EFFECT OF EXTENDING THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-22 — — US disclosed
US-6414008-B1 CYNAO- OR AMIDINE-SUBSTITUTED BENZIMIDAZOLES, BENOTHIAZOLES, OR BENZOXAZOLES; 2-(N-(4-AMIDINOPHENYL)AMINOMETHYL)BENZOTHIAZOLES; 2-((4-CYANOPHENYL)OXYMETHYL)IMIDAZOL(4,5-B)PYRIDINES; ANTITHROMBOTICS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-07-02 — — US disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 — — US disclosed
US-6121308-A INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBONYLMETHYL) -QUINOLINE-8-SULPHONYLAMINO)-INDOLE BOEHRINGER INGELHEIM KG (DE) 2000-09-19 — — US disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 — — US disclosed
US-6087380-A ANTITHROMBOTIC BENZIMIDAZOLES; ANTICOAGULANTS; 2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-BENZIMIDAZOL-5-YL-CARBOXYLIC ACIDS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-07-11 — — US disclosed
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 — — US disclosed
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 — — 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-20030004181-A1 Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions F2, TFPI, FGB POLB 1562/4885MAPK1 2790/4885ATM 4584/4885
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions F2, F12, F3 POLB 4159/4885MAPK1 4022/4885ATM 1964/4885

“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.