SCHEMBL6770565

SCHEMBL6770565

N=C(N)NCc1c[c]ccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
ALOX12 P18054 2/20 0.33
GAA P10253 2/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
F2 P00734 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL6390537 0.82 RECQL (0.51) CA12CA1CA2CA9GRIN2D
SCHEMBL2184685 0.77 CYP2C9 (0.37) CA12CA1CA2CA9GRIN2D
SCHEMBL45768 0.77 CA12 (0.57) CA12CA1CA2CA9GRIN2D
SCHEMBL1988774 0.75 KMT2A (0.47) GAAALDH1A1CYP2C9POLBMAPT
SCHEMBL5841879 0.75
Hydrochloric Acid SCHEMBL3065003 0.75 CA12 (0.55) CA12CA1CA2CA9GRIN2D
Fluoride SCHEMBL27718975 0.75 CA12 (0.55) CA12CA1CA2CA9GRIN2D
Iodide SCHEMBL28867266 0.75 CA12 (0.55) CA12CA1CA2CA9GRIN2D
SCHEMBL3672272 0.74 CYP2C9 (0.48) CA12CA1CA2CA9GRIN2D
Sulfuric Acid SCHEMBL4014385 0.73 GAA (0.49) CA12CA1CA2CA9GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723480-A Adhesion receptor antagonists III MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-03 US claimed
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 US claimed
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US claimed
US-10112893-B2 Guanidinium compounds NUTECH VENTURES (US) 2018-10-30 US disclosed
US-20170001954-A1 GUANIDINIUM COMPOUNDS NUTECH VENTURES (US) 2017-01-05 US disclosed
WO-2016201128-A1 GUANIDINIUM COMPOUNDS NUTECH VENTURES (US) 2016-12-15 WO disclosed
US-6720344-B2 BINDING TO NUCLEAR RECEPTOR PROTEINS; STIMULATING BMP-2 PROMOTER ACTIVITY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2004-04-13 US disclosed
US-20030119791-A1 Methods and compositions for stimulating osteoblast proliferation or treating malignant cell proliferation and methods for selecting osteoblast proliferation stimulants KERWIN SEAN M (US) 2003-06-26 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 (3 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-20030119791-A1 Methods and compositions for stimulating osteoblast proliferation or treating malignant cell proliferation and methods for selecting osteoblast proliferation stimulants MKI67, HGF, AREG CA12 2376/4885CA1 2296/4885CA2 1176/4885
US-10112893-B2 Guanidinium compounds GDA, GMPS, GNAI3 CA12 1977/4885CA1 2166/4885CA2 1261/4885
US-20170001954-A1 GUANIDINIUM COMPOUNDS GDA, GMPS, GNAI3 CA12 1977/4885CA1 2166/4885CA2 1261/4885

“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.